N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine

C13H22N2O2 — CID 103152377

IUPACN'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
SMILESCOC(CN)CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C13H22N2O2/c1-16-12(9-14)6-7-15(11-4-5-11)10-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3
InChIKeyUCRSEPLWMZBWFE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

About N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine

N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine (PubChem CID 103152377) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
PubChem CID103152377
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
SMILESCOC(CN)CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C13H22N2O2/c1-16-12(9-14)6-7-15(11-4-5-11)10-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3
InChIKeyUCRSEPLWMZBWFE-UHFFFAOYSA-N
XLogP1.61
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine (CID 103152377) is N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine is COC(CN)CCN(Cc1ccco1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine?
The InChIKey is UCRSEPLWMZBWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-12(9-14)6-7-15(11-4-5-11)10-13-3-2-8-17-13/h2-3,8,11-12H,4-7,9-10,14H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine?
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine is sourced from PubChem (CID 103152377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).