(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine

C9H15N — CID 137466995

IUPAC(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-6H,3,10H2,1-2,4H3/b9-6+
InChIKeyKXVWLJAHMRQJRU-RMKNXTFCSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine

(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 137466995) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
PubChem CID137466995
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-6H,3,10H2,1-2,4H3/b9-6+
InChIKeyKXVWLJAHMRQJRU-RMKNXTFCSA-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

(3E)-3-amino-6-methylhepta-1,3,5-trien-2-ol
CID 170407811
(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
CID 144989388
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
ethenol;2-methylprop-2-enamide
CID 87880771
2-methylprop-2-enamide;hydrate
CID 88749193
(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienenitrile
CID 89181055
(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
CID 144645278
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(3E)-6-methylhepta-3,5-dien-1-yn-3-amine
CID 167215613
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
(3E)-5-tert-butyl-2-methylhepta-1,3,5-trien-3-amine
CID 143941928

Frequently Asked Questions

What is the IUPAC name of (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine (CID 137466995) is (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine is C=C(C)/C(N)=C\C=C(C)C.
What is the InChIKey of (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is KXVWLJAHMRQJRU-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-6H,3,10H2,1-2,4H3/b9-6+.
What are the key properties of (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine?
(3E)-2,6-dimethylhepta-1,3,5-trien-3-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 (3E)-2,6-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 137466995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).