N,3-dimethyl-2-methylidenepentan-1-amine

C8H17N — CID 91552102

IUPACN,3-dimethyl-2-methylidenepentan-1-amine
SMILESC=C(CNC)C(C)CC
InChIInChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyBYAXOMVTYIDHLU-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds4

About N,3-dimethyl-2-methylidenepentan-1-amine

N,3-dimethyl-2-methylidenepentan-1-amine (PubChem CID 91552102) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,3-dimethyl-2-methylidenepentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-methylidenepentan-1-amine
PubChem CID91552102
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,3-dimethyl-2-methylidenepentan-1-amine
SMILESC=C(CNC)C(C)CC
InChIInChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyBYAXOMVTYIDHLU-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,3-dimethyl-2-methylidenepentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-methylidenepentan-1-amine?
The IUPAC name of N,3-dimethyl-2-methylidenepentan-1-amine (CID 91552102) is N,3-dimethyl-2-methylidenepentan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-methylidenepentan-1-amine?
The canonical SMILES for N,3-dimethyl-2-methylidenepentan-1-amine is C=C(CNC)C(C)CC.
What is the InChIKey of N,3-dimethyl-2-methylidenepentan-1-amine?
The InChIKey is BYAXOMVTYIDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-7(2)8(3)6-9-4/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of N,3-dimethyl-2-methylidenepentan-1-amine?
N,3-dimethyl-2-methylidenepentan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylidenepentan-1-amine is sourced from PubChem (CID 91552102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).