1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide

C24H38N4O2 — CID 110060648

IUPAC1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCCO2)N2CCC3C(CCCN3C3CC3)C2)c1
InChIInChI=1S/C24H38N4O2/c1-2-15-30-22(6-1)17-26-24(25-12-10-21-7-4-16-29-21)27-14-11-23-19(18-27)5-3-13-28(23)20-8-9-20/h4,7,16,19-20,22-23H,1-3,5-6,8-15,17-18H2,(H,25,26)
InChIKeyGMDPDLQOUMDNER-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.29
Rot. Bonds6

About 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide

1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 110060648) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID110060648
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCCO2)N2CCC3C(CCCN3C3CC3)C2)c1
InChIInChI=1S/C24H38N4O2/c1-2-15-30-22(6-1)17-26-24(25-12-10-21-7-4-16-29-21)27-14-11-23-19(18-27)5-3-13-28(23)20-8-9-20/h4,7,16,19-20,22-23H,1-3,5-6,8-15,17-18H2,(H,25,26)
InChIKeyGMDPDLQOUMDNER-UHFFFAOYSA-N
XLogP3.29
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056230
1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
CID 110060643
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056386
N-[2-(furan-2-yl)ethyl]-3-morpholin-4-yl-N'-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110054873
N-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N'-(oxan-2-ylmethyl)piperidine-1-carboximidamide
CID 110059638
N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
CID 110057122
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 110053521
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 110053364
tert-butyl N-[1-[N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 110055412
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 110053684
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110057383
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110053877

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 110060648) is 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is c1coc(CCN/C(=N\CC2CCCCO2)N2CCC3C(CCCN3C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is GMDPDLQOUMDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-2-15-30-22(6-1)17-26-24(25-12-10-21-7-4-16-29-21)27-14-11-23-19(18-27)5-3-13-28(23)20-8-9-20/h4,7,16,19-20,22-23H,1-3,5-6,8-15,17-18H2,(H,25,26).
What are the key properties of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 414.59 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 110060648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).