(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine

C17H35N — CID 144585171

IUPAC(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine
SMILESCC1CCC([C@H](C)CCC[C@@H](C)NC(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)18-16(5)8-6-7-15(4)17-11-9-14(3)10-12-17/h13-18H,6-12H2,1-5H3/t14?,15-,16-,17?/m1/s1
InChIKeyYRMGIQNVHXQIJZ-JCCCHCCOSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds7

About (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine

(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine (PubChem CID 144585171) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine
PubChem CID144585171
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine
SMILESCC1CCC([C@H](C)CCC[C@@H](C)NC(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)18-16(5)8-6-7-15(4)17-11-9-14(3)10-12-17/h13-18H,6-12H2,1-5H3/t14?,15-,16-,17?/m1/s1
InChIKeyYRMGIQNVHXQIJZ-JCCCHCCOSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
3-(4-methylcyclohexyl)butan-1-amine
CID 81013064
octan-2-ylcyclopropane
CID 18968125
1-butan-2-yl-4-methylcyclohexane
CID 20676481
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane
CID 144843979
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
7-methyloctan-2-ylcyclohexane
CID 54518526
bis[3-(4-methylcyclohexyl)butyl] butanedioate
CID 69428277

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine?
The IUPAC name of (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine (CID 144585171) is (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine?
The canonical SMILES for (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine is CC1CCC([C@H](C)CCC[C@@H](C)NC(C)C)CC1.
What is the InChIKey of (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine?
The InChIKey is YRMGIQNVHXQIJZ-JCCCHCCOSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2)18-16(5)8-6-7-15(4)17-11-9-14(3)10-12-17/h13-18H,6-12H2,1-5H3/t14?,15-,16-,17?/m1/s1.
What are the key properties of (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine?
(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 144585171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).