cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine

C9H18N2 — CID 156527636

IUPACcis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine
SMILESC/N=C/[C@H]1CCCC[C@@H]1NC
InChIInChI=1S/C9H18N2/c1-10-7-8-5-3-4-6-9(8)11-2/h7-9,11H,3-6H2,1-2H3/b10-7+/t8-,9+/m1/s1
InChIKeyRBWMJBJKXPMXRG-LIHZAOSCSA-N
MW154.26 g/mol
LogP1.47
Rot. Bonds2

About cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine

cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine (PubChem CID 156527636) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine
PubChem CID156527636
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Namecis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine
SMILESC/N=C/[C@H]1CCCC[C@@H]1NC
InChIInChI=1S/C9H18N2/c1-10-7-8-5-3-4-6-9(8)11-2/h7-9,11H,3-6H2,1-2H3/b10-7+/t8-,9+/m1/s1
InChIKeyRBWMJBJKXPMXRG-LIHZAOSCSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine (CID 156527636) is cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine is C/N=C/[C@H]1CCCC[C@@H]1NC.
What is the InChIKey of cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine?
The InChIKey is RBWMJBJKXPMXRG-LIHZAOSCSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-7-8-5-3-4-6-9(8)11-2/h7-9,11H,3-6H2,1-2H3/b10-7+/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine?
cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-methyl-2-(methyliminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 156527636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).