trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine

C18H35N — CID 124709501

IUPACtrans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
SMILESCC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3/t15-,16-,17-,18+/m0/s1
InChIKeyLDFZMJRVNWWMIX-XLAORIBOSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds4

About trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine

trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine (PubChem CID 124709501) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
PubChem CID124709501
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nametrans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
SMILESCC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3/t15-,16-,17-,18+/m0/s1
InChIKeyLDFZMJRVNWWMIX-XLAORIBOSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627
(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
3-[(2-propan-2-ylcyclohexyl)amino]cyclohexan-1-ol
CID 81328282
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
1-methyl-N-(2-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 81344224
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
N-ethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82709453
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
N-(2-propan-2-ylcyclohexyl)ethanesulfonamide
CID 59292409

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine (CID 124709501) is trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine is CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)C.
What is the InChIKey of trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine?
The InChIKey is LDFZMJRVNWWMIX-XLAORIBOSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine?
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 124709501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).