[(3R,5R)-3,5-dimethylcyclohexyl]methanamine

C9H19N — CID 124506919

IUPAC[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
SMILESC[C@H]1CC(CN)C[C@H](C)C1
InChIInChI=1S/C9H19N/c1-7-3-8(2)5-9(4-7)6-10/h7-9H,3-6,10H2,1-2H3/t7-,8-/m1/s1
InChIKeyRDLFPXZUZARLIS-HTQZYQBOSA-N
MW141.26 g/mol
LogP2.02
Rot. Bonds1

About [(3R,5R)-3,5-dimethylcyclohexyl]methanamine

[(3R,5R)-3,5-dimethylcyclohexyl]methanamine (PubChem CID 124506919) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
PubChem CID124506919
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
SMILESC[C@H]1CC(CN)C[C@H](C)C1
InChIInChI=1S/C9H19N/c1-7-3-8(2)5-9(4-7)6-10/h7-9H,3-6,10H2,1-2H3/t7-,8-/m1/s1
InChIKeyRDLFPXZUZARLIS-HTQZYQBOSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylcyclohexyl]methanamine?
The IUPAC name of [(3R,5R)-3,5-dimethylcyclohexyl]methanamine (CID 124506919) is [(3R,5R)-3,5-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [(3R,5R)-3,5-dimethylcyclohexyl]methanamine?
The canonical SMILES for [(3R,5R)-3,5-dimethylcyclohexyl]methanamine is C[C@H]1CC(CN)C[C@H](C)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylcyclohexyl]methanamine?
The InChIKey is RDLFPXZUZARLIS-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19N/c1-7-3-8(2)5-9(4-7)6-10/h7-9H,3-6,10H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylcyclohexyl]methanamine?
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 124506919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).