(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine

C9H17N — CID 134858387

IUPAC(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine
SMILESCC(C)=C(C)/C(C)=C(/C)N
InChIInChI=1S/C9H17N/c1-6(2)7(3)8(4)9(5)10/h10H2,1-5H3/b9-8-
InChIKeyFCMQTPFGQKXRKK-HJWRWDBZSA-N
MW139.24 g/mol
LogP2.60
Rot. Bonds1

About (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine

(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine (PubChem CID 134858387) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine
PubChem CID134858387
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine
SMILESCC(C)=C(C)/C(C)=C(/C)N
InChIInChI=1S/C9H17N/c1-6(2)7(3)8(4)9(5)10/h10H2,1-5H3/b9-8-
InChIKeyFCMQTPFGQKXRKK-HJWRWDBZSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.60
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

(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine
CID 126564830
(2E)-3,4-dimethylpenta-2,4-dien-2-amine
CID 19853716
(E)-3-methylpent-2-en-2-amine
CID 19876577
2-Methylpent-2-en-3-amine
CID 19910927
4-Ethylhex-3-en-3-amine
CID 20202258
1-(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
CID 20647668
(E)-2,4,5-trimethylhex-3-en-3-amine
CID 58861518
(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine
CID 59408883
2,3,4,5-Tetramethylbenzene-6-id-1-amine;tungsten
CID 59646270
2,3,4,5-Tetramethylbenzene-6-id-1-amine;yttrium
CID 59882702
2,3,5,6-Tetramethylbenzene-4-id-1-amine;yttrium
CID 59882706
2,4,5-Trimethylhex-3-en-3-amine
CID 72446626

Frequently Asked Questions

What is the IUPAC name of (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine (CID 134858387) is (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine is CC(C)=C(C)/C(C)=C(/C)N.
What is the InChIKey of (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine?
The InChIKey is FCMQTPFGQKXRKK-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)7(3)8(4)9(5)10/h10H2,1-5H3/b9-8-.
What are the key properties of (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine?
(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine is sourced from PubChem (CID 134858387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).