2-(furan-2-ylmethyl)-3-methylbutan-1-amine

C10H17NO — CID 62998670

IUPAC2-(furan-2-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccco1
InChIInChI=1S/C10H17NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-5,8-9H,6-7,11H2,1-2H3
InChIKeyCVLNFZMIEHGDOA-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.05
Rot. Bonds4

About 2-(furan-2-ylmethyl)-3-methylbutan-1-amine

2-(furan-2-ylmethyl)-3-methylbutan-1-amine (PubChem CID 62998670) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-methylbutan-1-amine
PubChem CID62998670
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(furan-2-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccco1
InChIInChI=1S/C10H17NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-5,8-9H,6-7,11H2,1-2H3
InChIKeyCVLNFZMIEHGDOA-UHFFFAOYSA-N
XLogP2.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)-4-(furan-2-yl)butanoic acid
CID 10130245
(S)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid
CID 12985748
2-Benzo[b]furan-3-ylethylamine
CID 12420812
3-(Furan-2-yl)propan-1-amine
CID 179114
4-(Furan-2-yl)butan-2-amine
CID 2772029
1-(Furan-2-yl)propan-2-amine
CID 2772203
(R)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid
CID 12985750
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
Brasilamide E
CID 71747915
2-Furanpropylamine, N,N-dimethyl-
CID 32982
(3-Furan-2-yl-propyl)-methyl-amine
CID 2772204
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-3-methylbutan-1-amine (CID 62998670) is 2-(furan-2-ylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-methylbutan-1-amine is CC(C)C(CN)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-methylbutan-1-amine?
The InChIKey is CVLNFZMIEHGDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-5,8-9H,6-7,11H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethyl)-3-methylbutan-1-amine?
2-(furan-2-ylmethyl)-3-methylbutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.05, 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)-3-methylbutan-1-amine is sourced from PubChem (CID 62998670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).