cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine

C9H19N — CID 142193437

IUPACcis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C9H19N/c1-8-5-4-6-9(7-8)10(2)3/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyAPSXOSQBWRDGQN-DTWKUNHWSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine

cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 142193437) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
PubChem CID142193437
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Namecis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C9H19N/c1-8-5-4-6-9(7-8)10(2)3/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyAPSXOSQBWRDGQN-DTWKUNHWSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N,N,3-trimethylcyclopentan-1-amine
CID 91598782
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
(1R)-1,3-dimethylcyclohexane
CID 12594306
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
ethane;N,N,3-trimethylcyclobutan-1-amine
CID 170739396
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine
CID 80561761
CID 175388606
CID 175388606
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine (CID 142193437) is cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine is C[C@H]1CCC[C@@H](N(C)C)C1.
What is the InChIKey of cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is APSXOSQBWRDGQN-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19N/c1-8-5-4-6-9(7-8)10(2)3/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine?
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 142193437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).