cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine

C10H21N — CID 15350394

IUPACcis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C10H21N/c1-3-7-11-10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyXCSDZAOBQAHRBV-VHSXEESVSA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds3

About cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine

cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine (PubChem CID 15350394) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
PubChem CID15350394
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Namecis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C10H21N/c1-3-7-11-10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyXCSDZAOBQAHRBV-VHSXEESVSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine (CID 15350394) is cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine is CCCN[C@@H]1CCC[C@H](C)C1.
What is the InChIKey of cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine?
The InChIKey is XCSDZAOBQAHRBV-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N/c1-3-7-11-10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine?
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 15350394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).