(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine

C10H19N — CID 155307327

IUPAC(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine
SMILESCC/C=C/C(C)(C)/C=C/NC
InChIInChI=1S/C10H19N/c1-5-6-7-10(2,3)8-9-11-4/h6-9,11H,5H2,1-4H3/b7-6+,9-8+
InChIKeyUIEGZMPJUCPUNT-BLHCBFLLSA-N
MW153.27 g/mol
LogP2.71
Rot. Bonds4

About (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine

(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine (PubChem CID 155307327) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine
PubChem CID155307327
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine
SMILESCC/C=C/C(C)(C)/C=C/NC
InChIInChI=1S/C10H19N/c1-5-6-7-10(2,3)8-9-11-4/h6-9,11H,5H2,1-4H3/b7-6+,9-8+
InChIKeyUIEGZMPJUCPUNT-BLHCBFLLSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine?
The IUPAC name of (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine (CID 155307327) is (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine.
What is the SMILES notation for (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine?
The canonical SMILES for (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine is CC/C=C/C(C)(C)/C=C/NC.
What is the InChIKey of (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine?
The InChIKey is UIEGZMPJUCPUNT-BLHCBFLLSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-10(2,3)8-9-11-4/h6-9,11H,5H2,1-4H3/b7-6+,9-8+.
What are the key properties of (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine?
(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine is sourced from PubChem (CID 155307327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).