4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine

C12H23NO — CID 40515555

IUPAC4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1
InChIKeyPXDDZIWTUJYLBQ-MCIGGMRASA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine (PubChem CID 40515555) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
PubChem CID40515555
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1
InChIKeyPXDDZIWTUJYLBQ-MCIGGMRASA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine (CID 40515555) is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine is CC1CCC(NC[C@@H]2CCCO2)CC1.
What is the InChIKey of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is PXDDZIWTUJYLBQ-MCIGGMRASA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1.
What are the key properties of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine?
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 40515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).