2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine

C13H25N — CID 126599217

IUPAC2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine
SMILESC=C1CCCCCC1CCC(C)(C)N
InChIInChI=1S/C13H25N/c1-11-7-5-4-6-8-12(11)9-10-13(2,3)14/h12H,1,4-10,14H2,2-3H3
InChIKeyXKVDLIZNUYIXGW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.64
Rot. Bonds3

About 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine

2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine (PubChem CID 126599217) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine
PubChem CID126599217
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine
SMILESC=C1CCCCCC1CCC(C)(C)N
InChIInChI=1S/C13H25N/c1-11-7-5-4-6-8-12(11)9-10-13(2,3)14/h12H,1,4-10,14H2,2-3H3
InChIKeyXKVDLIZNUYIXGW-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.64
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 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine?
The IUPAC name of 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine (CID 126599217) is 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine is C=C1CCCCCC1CCC(C)(C)N.
What is the InChIKey of 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine?
The InChIKey is XKVDLIZNUYIXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-7-5-4-6-8-12(11)9-10-13(2,3)14/h12H,1,4-10,14H2,2-3H3.
What are the key properties of 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine?
2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylidenecycloheptyl)butan-2-amine is sourced from PubChem (CID 126599217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).