trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine

C12H23N — CID 130624100

IUPACtrans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
SMILESCC1CCC(CN[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C12H23N/c1-9-3-5-11(6-4-9)8-13-12-7-10(12)2/h9-13H,3-8H2,1-2H3/t9?,10-,11?,12-/m1/s1
InChIKeyAGYMOOTYDXGSRM-RUJICJSRSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds3

About trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine

trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine (PubChem CID 130624100) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
PubChem CID130624100
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nametrans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
SMILESCC1CCC(CN[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C12H23N/c1-9-3-5-11(6-4-9)8-13-12-7-10(12)2/h9-13H,3-8H2,1-2H3/t9?,10-,11?,12-/m1/s1
InChIKeyAGYMOOTYDXGSRM-RUJICJSRSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine (CID 130624100) is trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine is CC1CCC(CN[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine?
The InChIKey is AGYMOOTYDXGSRM-RUJICJSRSA-N. The full InChI is InChI=1S/C12H23N/c1-9-3-5-11(6-4-9)8-13-12-7-10(12)2/h9-13H,3-8H2,1-2H3/t9?,10-,11?,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine?
trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 130624100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).