2-(furan-2-ylmethyl)butan-1-amine

C9H15NO — CID 13029329

IUPAC2-(furan-2-ylmethyl)butan-1-amine
SMILESCCC(CN)Cc1ccco1
InChIInChI=1S/C9H15NO/c1-2-8(7-10)6-9-4-3-5-11-9/h3-5,8H,2,6-7,10H2,1H3
InChIKeyPVXSNLQERBCBMN-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.81
Rot. Bonds4

About 2-(furan-2-ylmethyl)butan-1-amine

2-(furan-2-ylmethyl)butan-1-amine (PubChem CID 13029329) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)butan-1-amine
PubChem CID13029329
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-(furan-2-ylmethyl)butan-1-amine
SMILESCCC(CN)Cc1ccco1
InChIInChI=1S/C9H15NO/c1-2-8(7-10)6-9-4-3-5-11-9/h3-5,8H,2,6-7,10H2,1H3
InChIKeyPVXSNLQERBCBMN-UHFFFAOYSA-N
XLogP1.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
2-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62999600
2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
CID 83138308
N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
CID 117246184
1-butan-2-ylsulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175444
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
CID 105029464

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)butan-1-amine (CID 13029329) is 2-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)butan-1-amine is CCC(CN)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is PVXSNLQERBCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8(7-10)6-9-4-3-5-11-9/h3-5,8H,2,6-7,10H2,1H3.
What are the key properties of 2-(furan-2-ylmethyl)butan-1-amine?
2-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 13029329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).