4-methyl-2-methylidenepentan-1-amine

C7H15N — CID 55284045

IUPAC4-methyl-2-methylidenepentan-1-amine
SMILESC=C(CN)CC(C)C
InChIInChI=1S/C7H15N/c1-6(2)4-7(3)5-8/h6H,3-5,8H2,1-2H3
InChIKeyRJJAQZKBRCCKDW-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.55
Rot. Bonds3

About 4-methyl-2-methylidenepentan-1-amine

4-methyl-2-methylidenepentan-1-amine (PubChem CID 55284045) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 4-methyl-2-methylidenepentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-methylidenepentan-1-amine
PubChem CID55284045
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name4-methyl-2-methylidenepentan-1-amine
SMILESC=C(CN)CC(C)C
InChIInChI=1S/C7H15N/c1-6(2)4-7(3)5-8/h6H,3-5,8H2,1-2H3
InChIKeyRJJAQZKBRCCKDW-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.55
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 4-methyl-2-methylidenepentan-1-amine?
The IUPAC name of 4-methyl-2-methylidenepentan-1-amine (CID 55284045) is 4-methyl-2-methylidenepentan-1-amine.
What is the SMILES notation for 4-methyl-2-methylidenepentan-1-amine?
The canonical SMILES for 4-methyl-2-methylidenepentan-1-amine is C=C(CN)CC(C)C.
What is the InChIKey of 4-methyl-2-methylidenepentan-1-amine?
The InChIKey is RJJAQZKBRCCKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6(2)4-7(3)5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 4-methyl-2-methylidenepentan-1-amine?
4-methyl-2-methylidenepentan-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenepentan-1-amine is sourced from PubChem (CID 55284045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).