(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine

C9H17N — CID 20603577

IUPAC(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C/C/C=C/CN(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-7-8-9-10(2)3/h4-5,7-8H,6,9H2,1-3H3/b5-4+,8-7+
InChIKeyOZWMQBKNDQYCNJ-AOSYACOCSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds4

About (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine

(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine (PubChem CID 20603577) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine
PubChem CID20603577
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C/C/C=C/CN(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-7-8-9-10(2)3/h4-5,7-8H,6,9H2,1-3H3/b5-4+,8-7+
InChIKeyOZWMQBKNDQYCNJ-AOSYACOCSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine?
The IUPAC name of (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine (CID 20603577) is (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine.
What is the SMILES notation for (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine?
The canonical SMILES for (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine is C/C=C/C/C=C/CN(C)C.
What is the InChIKey of (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine?
The InChIKey is OZWMQBKNDQYCNJ-AOSYACOCSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-6-7-8-9-10(2)3/h4-5,7-8H,6,9H2,1-3H3/b5-4+,8-7+.
What are the key properties of (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine?
(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 20603577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).