trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine

C14H27N — CID 99646097

IUPACtrans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@H](N[C@H]2CCC[C@H](C)C2)C1
InChIInChI=1S/C14H27N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyFBBSSGDEXCODGU-KPWCQOOUSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds2

About trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine

trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine (PubChem CID 99646097) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
PubChem CID99646097
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nametrans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@H](N[C@H]2CCC[C@H](C)C2)C1
InChIInChI=1S/C14H27N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyFBBSSGDEXCODGU-KPWCQOOUSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-(3-methylcyclohexyl)thian-4-amine
CID 43428241
N,3-dimethylcyclohexan-1-amine
CID 16771259
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
2,2,6,6-tetramethyl-N-(3-methylcyclohexyl)piperidin-4-amine
CID 43182325
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
ethane;N-(3-methylcyclohexyl)formamide
CID 145231025
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine (CID 99646097) is trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine is C[C@@H]1CCC[C@@H](N[C@H]2CCC[C@H](C)C2)C1.
What is the InChIKey of trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine?
The InChIKey is FBBSSGDEXCODGU-KPWCQOOUSA-N. The full InChI is InChI=1S/C14H27N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+.
What are the key properties of trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine?
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 99646097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).