N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

C14H31NO — CID 62529508

IUPACN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeySYELFJGDMUWEDW-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.32
Rot. Bonds10

About N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (PubChem CID 62529508) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
PubChem CID62529508
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeySYELFJGDMUWEDW-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-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,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (CID 62529508) is N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is CNCC(CCOCCC(C)C)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The InChIKey is SYELFJGDMUWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62529508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).