[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine

C10H21N — CID 93286265

IUPAC[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
SMILESC[C@@H]1C[C@H](CN)CC(C)(C)C1
InChIInChI=1S/C10H21N/c1-8-4-9(7-11)6-10(2,3)5-8/h8-9H,4-7,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyCJCRRPNBBPIUFT-BDAKNGLRSA-N
MW155.28 g/mol
LogP2.41
Rot. Bonds1

About [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine

[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine (PubChem CID 93286265) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
PubChem CID93286265
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
SMILESC[C@@H]1C[C@H](CN)CC(C)(C)C1
InChIInChI=1S/C10H21N/c1-8-4-9(7-11)6-10(2,3)5-8/h8-9H,4-7,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyCJCRRPNBBPIUFT-BDAKNGLRSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine?
The IUPAC name of [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine (CID 93286265) is [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine?
The canonical SMILES for [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine is C[C@@H]1C[C@H](CN)CC(C)(C)C1.
What is the InChIKey of [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine?
The InChIKey is CJCRRPNBBPIUFT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21N/c1-8-4-9(7-11)6-10(2,3)5-8/h8-9H,4-7,11H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine?
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine has a molecular weight of 155.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 93286265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).