2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

C14H29NO — CID 114470650

IUPAC2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOC(CCC)CNCC(C)C
InChIInChI=1S/C14H29NO/c1-6-7-14(11-15-10-13(4)5)16-9-8-12(2)3/h13-15H,2,6-11H2,1,3-5H3
InChIKeyAYIDBCRUTFHEIM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds10

About 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 114470650) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID114470650
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOC(CCC)CNCC(C)C
InChIInChI=1S/C14H29NO/c1-6-7-14(11-15-10-13(4)5)16-9-8-12(2)3/h13-15H,2,6-11H2,1,3-5H3
InChIKeyAYIDBCRUTFHEIM-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)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

Related Compounds

2-(1-methoxypropan-2-yloxy)-N-(2-methylpropyl)pentan-1-amine
CID 83044031
N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
CID 114470646
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
CID 114470839
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(2-methylpropyl)pentan-1-amine
CID 83043931
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83046443
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
CID 83045552
2-[2-(diethylamino)ethoxy]-N-ethylpentan-1-amine
CID 83044524
methyl (2S)-2-(3-methylbut-3-enoxy)propanoate
CID 103338255
N-methyl-2-(2-propoxyethoxy)pentan-1-amine
CID 83044907
N-ethyl-2-prop-2-enoxypentan-1-amine
CID 83045873

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (CID 114470650) is 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine is C=C(C)CCOC(CCC)CNCC(C)C.
What is the InChIKey of 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is AYIDBCRUTFHEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-14(11-15-10-13(4)5)16-9-8-12(2)3/h13-15H,2,6-11H2,1,3-5H3.
What are the key properties of 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114470650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).