(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine

C10H19N — CID 34242913

IUPAC(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C/CN(CC)CC
InChIInChI=1S/C10H19N/c1-5-10(4)8-9-11(6-2)7-3/h5,8H,1,6-7,9H2,2-4H3/b10-8+
InChIKeyPYKHWXCQCRANLD-CSKARUKUSA-N
MW153.27 g/mol
LogP2.46
Rot. Bonds5

About (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine

(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine (PubChem CID 34242913) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine
PubChem CID34242913
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C/CN(CC)CC
InChIInChI=1S/C10H19N/c1-5-10(4)8-9-11(6-2)7-3/h5,8H,1,6-7,9H2,2-4H3/b10-8+
InChIKeyPYKHWXCQCRANLD-CSKARUKUSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N,N-diethyl-3-methylpenta-2,4-dien-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-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
3-methylpenta-2,4-dien-1-ol
CID 534959
3-methylhepta-1,3,6-triene
CID 71444747
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
(3E)-3-methylnona-1,3-diene
CID 13382655
3-[ethyl(3-methylbut-2-enyl)amino]-2-methylpropanoic acid
CID 62853147
3,6-dimethylhepta-1,3,6-triene
CID 123605214
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905
(3Z)-3,6,6-trimethylhepta-1,3-diene
CID 143290356

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine (CID 34242913) is (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine is C=C/C(C)=C/CN(CC)CC.
What is the InChIKey of (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine?
The InChIKey is PYKHWXCQCRANLD-CSKARUKUSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(4)8-9-11(6-2)7-3/h5,8H,1,6-7,9H2,2-4H3/b10-8+.
What are the key properties of (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine?
(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 34242913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).