4-(4-methylfuran-2-yl)butan-1-amine

C9H15NO — CID 82416827

IUPAC4-(4-methylfuran-2-yl)butan-1-amine
SMILESCc1coc(CCCCN)c1
InChIInChI=1S/C9H15NO/c1-8-6-9(11-7-8)4-2-3-5-10/h6-7H,2-5,10H2,1H3
InChIKeyNBHMOZJJMJXPSQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.87
Rot. Bonds4

About 4-(4-methylfuran-2-yl)butan-1-amine

4-(4-methylfuran-2-yl)butan-1-amine (PubChem CID 82416827) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(4-methylfuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylfuran-2-yl)butan-1-amine
PubChem CID82416827
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(4-methylfuran-2-yl)butan-1-amine
SMILESCc1coc(CCCCN)c1
InChIInChI=1S/C9H15NO/c1-8-6-9(11-7-8)4-2-3-5-10/h6-7H,2-5,10H2,1H3
InChIKeyNBHMOZJJMJXPSQ-UHFFFAOYSA-N
XLogP1.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Furan-2-yl)ethan-1-amine
CID 1132863
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylcyclohexa-2,5-diene-1,4-dione
CID 23425134
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
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
Brasilamide E
CID 71747915
(3-Furan-2-yl-propyl)-methyl-amine
CID 2772204
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
3-(5-Methylfuran-2-yl)propan-1-amine
CID 12920834

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylfuran-2-yl)butan-1-amine?
The IUPAC name of 4-(4-methylfuran-2-yl)butan-1-amine (CID 82416827) is 4-(4-methylfuran-2-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylfuran-2-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylfuran-2-yl)butan-1-amine is Cc1coc(CCCCN)c1.
What is the InChIKey of 4-(4-methylfuran-2-yl)butan-1-amine?
The InChIKey is NBHMOZJJMJXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-6-9(11-7-8)4-2-3-5-10/h6-7H,2-5,10H2,1H3.
What are the key properties of 4-(4-methylfuran-2-yl)butan-1-amine?
4-(4-methylfuran-2-yl)butan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylfuran-2-yl)butan-1-amine is sourced from PubChem (CID 82416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).