(3E)-N-propan-2-ylpenta-1,3-dien-2-amine

C8H15N — CID 126549325

IUPAC(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
SMILESC=C(/C=C/C)NC(C)C
InChIInChI=1S/C8H15N/c1-5-6-8(4)9-7(2)3/h5-7,9H,4H2,1-3H3/b6-5+
InChIKeyLZKPGMJKTSTGKD-AATRIKPKSA-N
MW125.21 g/mol
LogP2.07
Rot. Bonds3

About (3E)-N-propan-2-ylpenta-1,3-dien-2-amine

(3E)-N-propan-2-ylpenta-1,3-dien-2-amine (PubChem CID 126549325) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-N-propan-2-ylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
PubChem CID126549325
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
SMILESC=C(/C=C/C)NC(C)C
InChIInChI=1S/C8H15N/c1-5-6-8(4)9-7(2)3/h5-7,9H,4H2,1-3H3/b6-5+
InChIKeyLZKPGMJKTSTGKD-AATRIKPKSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N-propan-2-ylpenta-1,3-dien-2-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

(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310
(3E)-N-propan-2-ylhexa-1,3-dien-2-amine
CID 126487478
(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine
CID 144821177
5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine
CID 167133745
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
CID 155328555
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
1-buta-1,3-dien-2-yl-3-propan-2-ylurea
CID 174341570
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029

Frequently Asked Questions

What is the IUPAC name of (3E)-N-propan-2-ylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-propan-2-ylpenta-1,3-dien-2-amine (CID 126549325) is (3E)-N-propan-2-ylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-propan-2-ylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-propan-2-ylpenta-1,3-dien-2-amine is C=C(/C=C/C)NC(C)C.
What is the InChIKey of (3E)-N-propan-2-ylpenta-1,3-dien-2-amine?
The InChIKey is LZKPGMJKTSTGKD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-8(4)9-7(2)3/h5-7,9H,4H2,1-3H3/b6-5+.
What are the key properties of (3E)-N-propan-2-ylpenta-1,3-dien-2-amine?
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-propan-2-ylpenta-1,3-dien-2-amine is sourced from PubChem (CID 126549325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).