1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine

C11H20N2O — CID 61150201

IUPAC1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-9(2)6-10(12)7-13-8-11-4-3-5-14-11/h3-5,9-10,13H,6-8,12H2,1-2H3
InChIKeyKCMVJWXQRMQRDG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.74
Rot. Bonds6

About 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine

1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine (PubChem CID 61150201) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
PubChem CID61150201
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-9(2)6-10(12)7-13-8-11-4-3-5-14-11/h3-5,9-10,13H,6-8,12H2,1-2H3
InChIKeyKCMVJWXQRMQRDG-UHFFFAOYSA-N
XLogP1.74
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
CID 62565600
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
2-but-2-enoxy-N-(furan-2-ylmethyl)propan-1-amine
CID 76946759
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine (CID 61150201) is 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNCc1ccco1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
The InChIKey is KCMVJWXQRMQRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)6-10(12)7-13-8-11-4-3-5-14-11/h3-5,9-10,13H,6-8,12H2,1-2H3.
What are the key properties of 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine?
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 61150201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).