N-methyl-1-(4-methylidenecyclohexyl)methanamine

C9H17N — CID 88567743

IUPACN-methyl-1-(4-methylidenecyclohexyl)methanamine
SMILESC=C1CCC(CNC)CC1
InChIInChI=1S/C9H17N/c1-8-3-5-9(6-4-8)7-10-2/h9-10H,1,3-7H2,2H3
InChIKeyMSAHIEAHEHSAPN-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-1-(4-methylidenecyclohexyl)methanamine

N-methyl-1-(4-methylidenecyclohexyl)methanamine (PubChem CID 88567743) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-1-(4-methylidenecyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylidenecyclohexyl)methanamine
PubChem CID88567743
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-1-(4-methylidenecyclohexyl)methanamine
SMILESC=C1CCC(CNC)CC1
InChIInChI=1S/C9H17N/c1-8-3-5-9(6-4-8)7-10-2/h9-10H,1,3-7H2,2H3
InChIKeyMSAHIEAHEHSAPN-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-methyl-1-(4-methylidenecyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylidenecyclohexyl)methanamine (CID 88567743) is N-methyl-1-(4-methylidenecyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylidenecyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylidenecyclohexyl)methanamine is C=C1CCC(CNC)CC1.
What is the InChIKey of N-methyl-1-(4-methylidenecyclohexyl)methanamine?
The InChIKey is MSAHIEAHEHSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-3-5-9(6-4-8)7-10-2/h9-10H,1,3-7H2,2H3.
What are the key properties of N-methyl-1-(4-methylidenecyclohexyl)methanamine?
N-methyl-1-(4-methylidenecyclohexyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylidenecyclohexyl)methanamine is sourced from PubChem (CID 88567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).