1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine

C11H20N2O — CID 61150352

IUPAC1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3
InChIKeyXQAQUNWAZZYAFK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.74
Rot. Bonds6

About 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine

1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine (PubChem CID 61150352) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
PubChem CID61150352
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCc1ccco1
InChIInChI=1S/C11H20N2O/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3
InChIKeyXQAQUNWAZZYAFK-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

N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
2-but-2-enoxy-N-(furan-2-ylmethyl)propan-1-amine
CID 76946759
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
CID 62565600
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine (CID 61150352) is 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine is CCC(C)C(N)CNCc1ccco1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine?
The InChIKey is XQAQUNWAZZYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3.
What are the key properties of 1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine?
1-N-(furan-2-ylmethyl)-3-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)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 61150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).