N-methyl-2-methyliminocycloheptan-1-amine

C9H18N2 — CID 20652986

IUPACN-methyl-2-methyliminocycloheptan-1-amine
SMILESC/N=C1\CCCCCC1NC
InChIInChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8,10H,3-7H2,1-2H3/b11-9+
InChIKeyWZBHRWGAMXVDKZ-PKNBQFBNSA-N
MW154.26 g/mol
LogP1.61
Rot. Bonds1

About N-methyl-2-methyliminocycloheptan-1-amine

N-methyl-2-methyliminocycloheptan-1-amine (PubChem CID 20652986) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-methyliminocycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methyliminocycloheptan-1-amine
PubChem CID20652986
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-methyliminocycloheptan-1-amine
SMILESC/N=C1\CCCCCC1NC
InChIInChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8,10H,3-7H2,1-2H3/b11-9+
InChIKeyWZBHRWGAMXVDKZ-PKNBQFBNSA-N
XLogP1.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.61
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 N-methyl-2-methyliminocycloheptan-1-amine?
The IUPAC name of N-methyl-2-methyliminocycloheptan-1-amine (CID 20652986) is N-methyl-2-methyliminocycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-methyliminocycloheptan-1-amine?
The canonical SMILES for N-methyl-2-methyliminocycloheptan-1-amine is C/N=C1\CCCCCC1NC.
What is the InChIKey of N-methyl-2-methyliminocycloheptan-1-amine?
The InChIKey is WZBHRWGAMXVDKZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8,10H,3-7H2,1-2H3/b11-9+.
What are the key properties of N-methyl-2-methyliminocycloheptan-1-amine?
N-methyl-2-methyliminocycloheptan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methyliminocycloheptan-1-amine is sourced from PubChem (CID 20652986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).