(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine

C9H13NO — CID 131000468

IUPAC(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@H](N)c1ccco1
InChIInChI=1S/C9H13NO/c1-7(2)6-8(10)9-4-3-5-11-9/h3-5,8H,1,6,10H2,2H3/t8-/m0/s1
InChIKeySZVYPWLBBVTLIZ-QMMMGPOBSA-N
MW151.21 g/mol
LogP2.25
Rot. Bonds3

About (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine

(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine (PubChem CID 131000468) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
PubChem CID131000468
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@H](N)c1ccco1
InChIInChI=1S/C9H13NO/c1-7(2)6-8(10)9-4-3-5-11-9/h3-5,8H,1,6,10H2,2H3/t8-/m0/s1
InChIKeySZVYPWLBBVTLIZ-QMMMGPOBSA-N
XLogP2.25
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
3-amino-3-(furan-2-yl)propanoyl iodide
CID 163471239
2-amino-2-(furan-2-yl)ethanol
CID 54048773
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
CID 82075111
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine (CID 131000468) is (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine is C=C(C)C[C@H](N)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine?
The InChIKey is SZVYPWLBBVTLIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)6-8(10)9-4-3-5-11-9/h3-5,8H,1,6,10H2,2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine?
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 131000468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).