trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

C18H37N — CID 134926424

IUPACtrans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H37N/c1-13(2)15-10-9-14(3)11-16(15)19-18(7,8)12-17(4,5)6/h13-16,19H,9-12H2,1-8H3/t14-,15+,16?/m1/s1
InChIKeyYMNDBXDHJPAUIE-YSPPHNQVSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds4

About trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (PubChem CID 134926424) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
PubChem CID134926424
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Nametrans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H37N/c1-13(2)15-10-9-14(3)11-16(15)19-18(7,8)12-17(4,5)6/h13-16,19H,9-12H2,1-8H3/t14-,15+,16?/m1/s1
InChIKeyYMNDBXDHJPAUIE-YSPPHNQVSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine with MolForge

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
2-[2-Cyclohexyl-2-(4,4-dimethylcyclohexyl)ethyl]piperidine
CID 137640227
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
Dimenthylamine
CID 17985961
4-N-fluoro-1-N-methyl-4-N-(2,5,5,6-tetramethylheptan-2-yl)cyclohexane-1,4-diamine
CID 166698384
Isopropyl-(2-isopropyl-5-methylcyclohexyl)amine
CID 574419
(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 134926433
CID 138977091
CID 138977091
2,2,5,5-tetramethyl-3,4,5a,6,7,8,9,9a-octahydro-1H-benzo[b]azepin-7-ylium
CID 138977092

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The IUPAC name of trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (CID 134926424) is trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is CC(C)[C@@H]1CC[C@@H](C)CC1NC(C)(C)CC(C)(C)C.
What is the InChIKey of trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The InChIKey is YMNDBXDHJPAUIE-YSPPHNQVSA-N. The full InChI is InChI=1S/C18H37N/c1-13(2)15-10-9-14(3)11-16(15)19-18(7,8)12-17(4,5)6/h13-16,19H,9-12H2,1-8H3/t14-,15+,16?/m1/s1.
What are the key properties of trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 134926424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).