trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine

C8H17N — CID 28819140

IUPACtrans-(1S,2S)-N,2-dimethylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H17N/c1-7-5-3-4-6-8(7)9-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHMDSHIZGTPRJHT-YUMQZZPRSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds1

About trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine

trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine (PubChem CID 28819140) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N,2-dimethylcyclohexan-1-amine
PubChem CID28819140
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nametrans-(1S,2S)-N,2-dimethylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H17N/c1-7-5-3-4-6-8(7)9-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHMDSHIZGTPRJHT-YUMQZZPRSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine (CID 28819140) is trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine is CN[C@H]1CCCC[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine?
The InChIKey is HMDSHIZGTPRJHT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17N/c1-7-5-3-4-6-8(7)9-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine?
trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 28819140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).