(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine

C9H17N — CID 143279361

IUPAC(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C(C)=C/CN(C)C
InChIInChI=1S/C9H17N/c1-5-6-9(2)7-8-10(3)4/h5-7H,8H2,1-4H3/b6-5-,9-7-
InChIKeySPQINIIWZLIMHX-LZWBOMALSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds3

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

(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine (PubChem CID 143279361) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
PubChem CID143279361
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C(C)=C/CN(C)C
InChIInChI=1S/C9H17N/c1-5-6-9(2)7-8-10(3)4/h5-7H,8H2,1-4H3/b6-5-,9-7-
InChIKeySPQINIIWZLIMHX-LZWBOMALSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
acetylene;(4Z,6Z)-5-methylocta-4,6-dien-2-one
CID 143148481
(E)-N,N,3,4-tetramethylpent-2-en-1-amine
CID 59115911
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(6E,8Z)-7-methyl-4-methylidenedeca-1,6,8-triene
CID 142247806
1,2-dimethyl-1-[(1E,3E)-2-methylpenta-1,3-dienyl]hydrazine
CID 143464890
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine (CID 143279361) is (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine is C/C=C\C(C)=C/CN(C)C.
What is the InChIKey of (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine?
The InChIKey is SPQINIIWZLIMHX-LZWBOMALSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-9(2)7-8-10(3)4/h5-7H,8H2,1-4H3/b6-5-,9-7-.
What are the key properties of (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine?
(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 143279361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).