[methyl-[(4-methylcyclohexyl)methyl]amino]azanide

C9H19N2- — CID 163725695

IUPAC[methyl-[(4-methylcyclohexyl)methyl]amino]azanide
SMILESCC1CCC(CN(C)[NH-])CC1
InChIInChI=1S/C9H19N2/c1-8-3-5-9(6-4-8)7-11(2)10/h8-10H,3-7H2,1-2H3/q-1
InChIKeyKUSYZDSBYRNUKI-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.71
Rot. Bonds2

About [methyl-[(4-methylcyclohexyl)methyl]amino]azanide

[methyl-[(4-methylcyclohexyl)methyl]amino]azanide (PubChem CID 163725695) has the molecular formula C9H19N2- and a molecular weight of 155.27 g/mol. Its IUPAC name is [methyl-[(4-methylcyclohexyl)methyl]amino]azanide.

Molecular Properties

Compound Name[methyl-[(4-methylcyclohexyl)methyl]amino]azanide
PubChem CID163725695
Molecular FormulaC9H19N2-
Molecular Weight155.27 g/mol
Exact Mass155.16
IUPAC Name[methyl-[(4-methylcyclohexyl)methyl]amino]azanide
SMILESCC1CCC(CN(C)[NH-])CC1
InChIInChI=1S/C9H19N2/c1-8-3-5-9(6-4-8)7-11(2)10/h8-10H,3-7H2,1-2H3/q-1
InChIKeyKUSYZDSBYRNUKI-UHFFFAOYSA-N
XLogP2.71
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-[(4-methylcyclohexyl)methyl]amino]azanide?
The IUPAC name of [methyl-[(4-methylcyclohexyl)methyl]amino]azanide (CID 163725695) is [methyl-[(4-methylcyclohexyl)methyl]amino]azanide.
What is the SMILES notation for [methyl-[(4-methylcyclohexyl)methyl]amino]azanide?
The canonical SMILES for [methyl-[(4-methylcyclohexyl)methyl]amino]azanide is CC1CCC(CN(C)[NH-])CC1.
What is the InChIKey of [methyl-[(4-methylcyclohexyl)methyl]amino]azanide?
The InChIKey is KUSYZDSBYRNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-8-3-5-9(6-4-8)7-11(2)10/h8-10H,3-7H2,1-2H3/q-1.
What are the key properties of [methyl-[(4-methylcyclohexyl)methyl]amino]azanide?
[methyl-[(4-methylcyclohexyl)methyl]amino]azanide has a molecular weight of 155.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(4-methylcyclohexyl)methyl]amino]azanide is sourced from PubChem (CID 163725695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).