1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride

C9H16ClNO — CID 86263007

IUPAC1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1ccco1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-7(2)6-8(10)9-4-3-5-11-9;/h3-5,7-8H,6,10H2,1-2H3;1H
InChIKeyRHCAGZGGMIDNEF-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.75
Rot. Bonds3

About 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride

1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 86263007) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
PubChem CID86263007
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1ccco1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-7(2)6-8(10)9-4-3-5-11-9;/h3-5,7-8H,6,10H2,1-2H3;1H
InChIKeyRHCAGZGGMIDNEF-UHFFFAOYSA-N
XLogP2.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride 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

(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
2-amino-2-(furan-2-yl)ethanol
CID 54048773
1-(furan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16795656
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride (CID 86263007) is 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride is CC(C)CC(N)c1ccco1.Cl.
What is the InChIKey of 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is RHCAGZGGMIDNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-7(2)6-8(10)9-4-3-5-11-9;/h3-5,7-8H,6,10H2,1-2H3;1H.
What are the key properties of 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride?
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 86263007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).