[(1R,3R)-1,3-dimethylcyclohexyl]methanamine

C9H19N — CID 124509461

IUPAC[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
SMILESC[C@@H]1CCC[C@@](C)(CN)C1
InChIInChI=1S/C9H19N/c1-8-4-3-5-9(2,6-8)7-10/h8H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyNZBHSANJTPXPPV-RKDXNWHRSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds1

About [(1R,3R)-1,3-dimethylcyclohexyl]methanamine

[(1R,3R)-1,3-dimethylcyclohexyl]methanamine (PubChem CID 124509461) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is [(1R,3R)-1,3-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
PubChem CID124509461
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
SMILESC[C@@H]1CCC[C@@](C)(CN)C1
InChIInChI=1S/C9H19N/c1-8-4-3-5-9(2,6-8)7-10/h8H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyNZBHSANJTPXPPV-RKDXNWHRSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
(1-methylcyclooctyl)methanamine
CID 80603984
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane
CID 170721292

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-1,3-dimethylcyclohexyl]methanamine?
The IUPAC name of [(1R,3R)-1,3-dimethylcyclohexyl]methanamine (CID 124509461) is [(1R,3R)-1,3-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [(1R,3R)-1,3-dimethylcyclohexyl]methanamine?
The canonical SMILES for [(1R,3R)-1,3-dimethylcyclohexyl]methanamine is C[C@@H]1CCC[C@@](C)(CN)C1.
What is the InChIKey of [(1R,3R)-1,3-dimethylcyclohexyl]methanamine?
The InChIKey is NZBHSANJTPXPPV-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19N/c1-8-4-3-5-9(2,6-8)7-10/h8H,3-7,10H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(1R,3R)-1,3-dimethylcyclohexyl]methanamine?
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1,3-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 124509461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).