2-prop-2-enylhexa-1,5-diene-1,1-diamine

C9H16N2 — CID 87329046

IUPAC2-prop-2-enylhexa-1,5-diene-1,1-diamine
SMILESC=CCCC(CC=C)=C(N)N
InChIInChI=1S/C9H16N2/c1-3-5-7-8(6-4-2)9(10)11/h3-4H,1-2,5-7,10-11H2
InChIKeyZEVQUOOZGAMLAX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds5

About 2-prop-2-enylhexa-1,5-diene-1,1-diamine

2-prop-2-enylhexa-1,5-diene-1,1-diamine (PubChem CID 87329046) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-prop-2-enylhexa-1,5-diene-1,1-diamine.

Molecular Properties

Compound Name2-prop-2-enylhexa-1,5-diene-1,1-diamine
PubChem CID87329046
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-prop-2-enylhexa-1,5-diene-1,1-diamine
SMILESC=CCCC(CC=C)=C(N)N
InChIInChI=1S/C9H16N2/c1-3-5-7-8(6-4-2)9(10)11/h3-4H,1-2,5-7,10-11H2
InChIKeyZEVQUOOZGAMLAX-UHFFFAOYSA-N
XLogP1.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enylhexa-1,5-diene-1,1-diamine 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

4-prop-2-enylhepta-1,3,6-trien-3-amine
CID 174731019
4-aminonona-1,4,8-trien-5-ol
CID 173334614
N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
hexa-1,5-dien-2-ol
CID 71321875
(5E)-5-bromohepta-1,5-diene
CID 163878412
N-carbamoylpent-4-enamide
CID 152780678
hex-5-enethioamide
CID 88640967
ethane;(2E)-2-ethylidenehex-5-enamide
CID 144971443
nonadec-18-enamide
CID 166991988
sodium;but-3-enamide;hydride
CID 175440454
N'-hydroxybut-3-enimidamide
CID 4695497
5-methylhepta-1,5-diene
CID 54049787

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylhexa-1,5-diene-1,1-diamine?
The IUPAC name of 2-prop-2-enylhexa-1,5-diene-1,1-diamine (CID 87329046) is 2-prop-2-enylhexa-1,5-diene-1,1-diamine.
What is the SMILES notation for 2-prop-2-enylhexa-1,5-diene-1,1-diamine?
The canonical SMILES for 2-prop-2-enylhexa-1,5-diene-1,1-diamine is C=CCCC(CC=C)=C(N)N.
What is the InChIKey of 2-prop-2-enylhexa-1,5-diene-1,1-diamine?
The InChIKey is ZEVQUOOZGAMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-7-8(6-4-2)9(10)11/h3-4H,1-2,5-7,10-11H2.
What are the key properties of 2-prop-2-enylhexa-1,5-diene-1,1-diamine?
2-prop-2-enylhexa-1,5-diene-1,1-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylhexa-1,5-diene-1,1-diamine is sourced from PubChem (CID 87329046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).