trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine

C15H30N2 — CID 135137626

IUPACtrans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNC
InChIInChI=1S/C15H30N2/c1-12(2)11-17(5)15-8-6-7-13(3)14(15)9-10-16-4/h12,14-16H,3,6-11H2,1-2,4-5H3/t14-,15+/m0/s1
InChIKeyDLIWKEUAIJNDJJ-LSDHHAIUSA-N
MW238.42 g/mol
LogP2.91
Rot. Bonds6

About trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine

trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 135137626) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID135137626
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nametrans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNC
InChIInChI=1S/C15H30N2/c1-12(2)11-17(5)15-8-6-7-13(3)14(15)9-10-16-4/h12,14-16H,3,6-11H2,1-2,4-5H3/t14-,15+/m0/s1
InChIKeyDLIWKEUAIJNDJJ-LSDHHAIUSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine (CID 135137626) is trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine is C=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNC.
What is the InChIKey of trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is DLIWKEUAIJNDJJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)11-17(5)15-8-6-7-13(3)14(15)9-10-16-4/h12,14-16H,3,6-11H2,1-2,4-5H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-methyl-2-[2-(methylamino)ethyl]-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 135137626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).