trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine

C9H19N — CID 96559139

IUPACtrans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@H](N)C1(C)C
InChIInChI=1S/C9H19N/c1-7-5-4-6-8(10)9(7,2)3/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1
InChIKeyRGBPUTXZYPQFKM-YUMQZZPRSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds

About trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine

trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine (PubChem CID 96559139) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine
PubChem CID96559139
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nametrans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine
SMILESC[C@H]1CCC[C@H](N)C1(C)C
InChIInChI=1S/C9H19N/c1-7-5-4-6-8(10)9(7,2)3/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1
InChIKeyRGBPUTXZYPQFKM-YUMQZZPRSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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

trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
11-methylspiro[5.5]undecan-5-amine
CID 138665061
trans-(1S,3R)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 99866719
cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine
CID 121317523
2-(isocyanatomethyl)-1,1,6-trimethylcyclohexane;isocyanic acid
CID 175527328
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
2-methylspiro[2.4]heptan-7-amine
CID 146817135
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
3,3-dimethylthiepan-4-amine
CID 142226260
1,2-dimethylcyclopentan-1-amine;hydrochloride
CID 146050243
5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine
CID 130412597
(5R)-6,6-dimethylbicyclo[3.1.0]hexane;molecular hydrogen;phosphane
CID 171834213

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine (CID 96559139) is trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine is C[C@H]1CCC[C@H](N)C1(C)C.
What is the InChIKey of trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine?
The InChIKey is RGBPUTXZYPQFKM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19N/c1-7-5-4-6-8(10)9(7,2)3/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine?
trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 96559139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).