1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine

C12H22N2O — CID 61470415

IUPAC1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-10(2)8-11(13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3
InChIKeyFZBBIKPYFMFJNW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.79
Rot. Bonds7

About 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine

1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine (PubChem CID 61470415) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
PubChem CID61470415
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCCc1ccco1
InChIInChI=1S/C12H22N2O/c1-10(2)8-11(13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3
InChIKeyFZBBIKPYFMFJNW-UHFFFAOYSA-N
XLogP1.79
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine 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

1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine (CID 61470415) is 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine is CC(C)CC(N)CNCCc1ccco1.
What is the InChIKey of 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine?
The InChIKey is FZBBIKPYFMFJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)8-11(13)9-14-6-5-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9,13H2,1-2H3.
What are the key properties of 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine?
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine is sourced from PubChem (CID 61470415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).