(3Z)-2,4-dimethylhexa-1,3-dien-3-amine

C8H15N — CID 167041122

IUPAC(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)CC
InChIInChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h2,5,9H2,1,3-4H3/b8-7-
InChIKeyWKTZDJXEKLQGAC-FPLPWBNLSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds2

About (3Z)-2,4-dimethylhexa-1,3-dien-3-amine

(3Z)-2,4-dimethylhexa-1,3-dien-3-amine (PubChem CID 167041122) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3Z)-2,4-dimethylhexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
PubChem CID167041122
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)CC
InChIInChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h2,5,9H2,1,3-4H3/b8-7-
InChIKeyWKTZDJXEKLQGAC-FPLPWBNLSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylbuta-1,3-diene-1,1,2-triamine
CID 145422855
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(E)-4-methylhex-3-en-3-amine
CID 129020883
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888
ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
CID 144511179
(3E)-3-(chloromethyl)-2,4-dimethylhexa-1,3-diene
CID 146332316
2,4-dimethyl-3-propan-2-ylhexa-1,3-diene
CID 123298352
2,3-dimethylpent-2-ene;hydrazine
CID 87640391
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
CID 169178718
(Z)-2-methyl-1-methylsulfanylbut-1-en-1-amine
CID 173476232
methane;bis(2-methylbut-1-ene)
CID 160529780

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,4-dimethylhexa-1,3-dien-3-amine?
The IUPAC name of (3Z)-2,4-dimethylhexa-1,3-dien-3-amine (CID 167041122) is (3Z)-2,4-dimethylhexa-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-2,4-dimethylhexa-1,3-dien-3-amine?
The canonical SMILES for (3Z)-2,4-dimethylhexa-1,3-dien-3-amine is C=C(C)/C(N)=C(\C)CC.
What is the InChIKey of (3Z)-2,4-dimethylhexa-1,3-dien-3-amine?
The InChIKey is WKTZDJXEKLQGAC-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h2,5,9H2,1,3-4H3/b8-7-.
What are the key properties of (3Z)-2,4-dimethylhexa-1,3-dien-3-amine?
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,4-dimethylhexa-1,3-dien-3-amine is sourced from PubChem (CID 167041122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).