N-(furan-2-ylmethyl)-N-pentylpentan-1-amine

C15H27NO — CID 86163523

IUPACN-(furan-2-ylmethyl)-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)Cc1ccco1
InChIInChI=1S/C15H27NO/c1-3-5-7-11-16(12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13H,3-8,11-12,14H2,1-2H3
InChIKeyUEQAPDCAXBQYBX-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.46
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-pentylpentan-1-amine

N-(furan-2-ylmethyl)-N-pentylpentan-1-amine (PubChem CID 86163523) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-pentylpentan-1-amine
PubChem CID86163523
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(furan-2-ylmethyl)-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)Cc1ccco1
InChIInChI=1S/C15H27NO/c1-3-5-7-11-16(12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13H,3-8,11-12,14H2,1-2H3
InChIKeyUEQAPDCAXBQYBX-UHFFFAOYSA-N
XLogP4.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-N-pentylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46990481
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46983650
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
CID 46989025
N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
CID 83969290
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-pentylpentan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-pentylpentan-1-amine (CID 86163523) is N-(furan-2-ylmethyl)-N-pentylpentan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-pentylpentan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-pentylpentan-1-amine is CCCCCN(CCCCC)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-pentylpentan-1-amine?
The InChIKey is UEQAPDCAXBQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-11-16(12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13H,3-8,11-12,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-pentylpentan-1-amine?
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-pentylpentan-1-amine is sourced from PubChem (CID 86163523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).