(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride

C10H18ClNO — CID 171212351

IUPAC(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccoc1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8(2)3-4-10(11)9-5-6-12-7-9;/h5-8,10H,3-4,11H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZNDLLKXAMKXPEQ-HNCPQSOCSA-N
MW203.71 g/mol
LogP3.14
Rot. Bonds4

About (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride

(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171212351) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171212351
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccoc1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8(2)3-4-10(11)9-5-6-12-7-9;/h5-8,10H,3-4,11H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZNDLLKXAMKXPEQ-HNCPQSOCSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(furan-3-yl)butan-1-amine
CID 78960978
(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride
CID 171212323
(1R)-3-fluoro-1-(furan-3-yl)propan-1-amine
CID 171212338
(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
CID 171231940
(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
CID 171212353
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
(1R)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine;hydrochloride
CID 171212335
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
1-(furan-3-yl)-2-methylpropan-1-amine
CID 63948567

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride (CID 171212351) is (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1ccoc1.Cl.
What is the InChIKey of (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is ZNDLLKXAMKXPEQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-8(2)3-4-10(11)9-5-6-12-7-9;/h5-8,10H,3-4,11H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride?
(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171212351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).