(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine

C9H15N — CID 130224549

IUPAC(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCC(C)=C/C=C(C)\C=C/N
InChIInChI=1S/C9H15N/c1-8(2)4-5-9(3)6-7-10/h4-7H,10H2,1-3H3/b7-6-,9-5-
InChIKeyLMBGHNBCCUGOQH-LKDPLPNCSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine

(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine (PubChem CID 130224549) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
PubChem CID130224549
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCC(C)=C/C=C(C)\C=C/N
InChIInChI=1S/C9H15N/c1-8(2)4-5-9(3)6-7-10/h4-7H,10H2,1-3H3/b7-6-,9-5-
InChIKeyLMBGHNBCCUGOQH-LKDPLPNCSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
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

(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
(1Z,3Z)-6-methyl-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142529959
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 142089102
(1Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 137396270
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
5-methylhexa-2,4-dien-2-ol
CID 173388590

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine (CID 130224549) is (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine is CC(C)=C/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine?
The InChIKey is LMBGHNBCCUGOQH-LKDPLPNCSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)4-5-9(3)6-7-10/h4-7H,10H2,1-3H3/b7-6-,9-5-.
What are the key properties of (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine?
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 130224549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).