cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine

C13H25N — CID 124708997

IUPACcis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1C
InChIInChI=1S/C13H25N/c1-10-6-3-4-8-12(10)14-13-9-5-7-11(13)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13+/m1/s1
InChIKeyFROHJNSTPMAIBU-NDBYEHHHSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

About cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine

cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine (PubChem CID 124708997) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
PubChem CID124708997
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namecis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1C
InChIInChI=1S/C13H25N/c1-10-6-3-4-8-12(10)14-13-9-5-7-11(13)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13+/m1/s1
InChIKeyFROHJNSTPMAIBU-NDBYEHHHSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine (CID 124708997) is cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine is C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1C.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine?
The InChIKey is FROHJNSTPMAIBU-NDBYEHHHSA-N. The full InChI is InChI=1S/C13H25N/c1-10-6-3-4-8-12(10)14-13-9-5-7-11(13)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine?
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine is sourced from PubChem (CID 124708997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).