(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine

C19H33NO — CID 27274527

IUPAC(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
SMILESCc1ccc(C(C)(C)C[C@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)o1
InChIInChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/t13-,14+,16+,17+/m1/s1
InChIKeyPGLKZBJSZVVTME-OHFALNGGSA-N
MW291.48 g/mol
LogP5.06
Rot. Bonds5

About (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine

(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine (PubChem CID 27274527) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
PubChem CID27274527
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
SMILESCc1ccc(C(C)(C)C[C@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)o1
InChIInChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/t13-,14+,16+,17+/m1/s1
InChIKeyPGLKZBJSZVVTME-OHFALNGGSA-N
XLogP5.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine with MolForge

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Related Compounds

(1R,2S,3S)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 11905876
[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 11905875
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867746
N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867762
N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867749
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64908217
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methylcyclopentyl)urea
CID 71869890
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine?
The IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine (CID 27274527) is (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine?
The canonical SMILES for (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine is Cc1ccc(C(C)(C)C[C@H](C)N[C@H]2CCC[C@@H](C)[C@@H]2C)o1.
What is the InChIKey of (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine?
The InChIKey is PGLKZBJSZVVTME-OHFALNGGSA-N. The full InChI is InChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/t13-,14+,16+,17+/m1/s1.
What are the key properties of (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine?
(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 27274527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).