(3E)-4,6-dimethylhepta-3,5-dien-1-amine

C9H17N — CID 131406704

IUPAC(3E)-4,6-dimethylhepta-3,5-dien-1-amine
SMILESCC(C)=C/C(C)=C/CCN
InChIInChI=1S/C9H17N/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6,10H2,1-3H3/b9-5+
InChIKeyUEUQUERFPXDYFU-WEVVVXLNSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds3

About (3E)-4,6-dimethylhepta-3,5-dien-1-amine

(3E)-4,6-dimethylhepta-3,5-dien-1-amine (PubChem CID 131406704) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3E)-4,6-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-4,6-dimethylhepta-3,5-dien-1-amine
PubChem CID131406704
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3E)-4,6-dimethylhepta-3,5-dien-1-amine
SMILESCC(C)=C/C(C)=C/CCN
InChIInChI=1S/C9H17N/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6,10H2,1-3H3/b9-5+
InChIKeyUEUQUERFPXDYFU-WEVVVXLNSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
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)-7-bromo-2,4-dimethylhepta-2,4-diene
CID 122235653
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(E)-4-methylhex-3-en-1-amine
CID 63969892
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
4-methylnon-3-en-1-amine
CID 79593569
5,5-difluoro-4-methylpent-3-en-1-amine
CID 80611327
but-1-ene-1,1,4-triamine
CID 141046878
4,6-dimethylhept-3-en-1-amine
CID 76997294
6-methylhepta-3,5-dien-1-amine
CID 79592244
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine
CID 144589787

Frequently Asked Questions

What is the IUPAC name of (3E)-4,6-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of (3E)-4,6-dimethylhepta-3,5-dien-1-amine (CID 131406704) is (3E)-4,6-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E)-4,6-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E)-4,6-dimethylhepta-3,5-dien-1-amine is CC(C)=C/C(C)=C/CCN.
What is the InChIKey of (3E)-4,6-dimethylhepta-3,5-dien-1-amine?
The InChIKey is UEUQUERFPXDYFU-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6,10H2,1-3H3/b9-5+.
What are the key properties of (3E)-4,6-dimethylhepta-3,5-dien-1-amine?
(3E)-4,6-dimethylhepta-3,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,6-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 131406704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).