N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine

C12H23N3O — CID 143176493

IUPACN-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine
SMILESCN1CCC(NCNCC2CC=CO2)CC1
InChIInChI=1S/C12H23N3O/c1-15-6-4-11(5-7-15)14-10-13-9-12-3-2-8-16-12/h2,8,11-14H,3-7,9-10H2,1H3
InChIKeyKRPWOHNXXFUMHQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.52
Rot. Bonds5

About N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine

N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine (PubChem CID 143176493) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine
PubChem CID143176493
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine
SMILESCN1CCC(NCNCC2CC=CO2)CC1
InChIInChI=1S/C12H23N3O/c1-15-6-4-11(5-7-15)14-10-13-9-12-3-2-8-16-12/h2,8,11-14H,3-7,9-10H2,1H3
InChIKeyKRPWOHNXXFUMHQ-UHFFFAOYSA-N
XLogP0.52
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-pyran-2-yl)-4,4,6-trimethyl-1,3-diazinane
CID 239648
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane;hydrochloride
CID 24190934
1-(2,3-Dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
CID 143176486
2-Prop-2-enyl-4-(2-prop-2-enylpyrrolidin-2-yl)morpholine
CID 173238867
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane
CID 419650
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783
1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
CID 62064249
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 62064425
1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
CID 62064573
3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62065469
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 62065611

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine?
The IUPAC name of N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine (CID 143176493) is N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine?
The canonical SMILES for N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine is CN1CCC(NCNCC2CC=CO2)CC1.
What is the InChIKey of N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine?
The InChIKey is KRPWOHNXXFUMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-6-4-11(5-7-15)14-10-13-9-12-3-2-8-16-12/h2,8,11-14H,3-7,9-10H2,1H3.
What are the key properties of N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine?
N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine has a molecular weight of 225.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 143176493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).