(2E)-N,5-dimethylhepta-2,6-dien-2-amine

C9H17N — CID 166992213

IUPAC(2E)-N,5-dimethylhepta-2,6-dien-2-amine
SMILESC=CC(C)C/C=C(\C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,7-8,10H,1,6H2,2-4H3/b9-7+
InChIKeyZHMMDPMLIBDYNX-VQHVLOKHSA-N
MW139.24 g/mol
LogP2.32
Rot. Bonds4

About (2E)-N,5-dimethylhepta-2,6-dien-2-amine

(2E)-N,5-dimethylhepta-2,6-dien-2-amine (PubChem CID 166992213) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E)-N,5-dimethylhepta-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E)-N,5-dimethylhepta-2,6-dien-2-amine
PubChem CID166992213
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E)-N,5-dimethylhepta-2,6-dien-2-amine
SMILESC=CC(C)C/C=C(\C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,7-8,10H,1,6H2,2-4H3/b9-7+
InChIKeyZHMMDPMLIBDYNX-VQHVLOKHSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
CID 89088185
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
CID 130233741
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(2Z,4E,6E)-3,7-difluoro-N,8-dimethyldeca-2,4,6-trien-5-amine
CID 169834830
(1E,4E,6R)-8-fluoro-N-methyl-6-propan-2-ylcyclonona-1,4,7-trien-1-amine
CID 173973957
2-n-Propyl-4-ethylpyrroline
CID 129804295
(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine
CID 176934801
(E)-N-ethyl-4-methylpent-2-en-3-amine
CID 17800491
(Z)-N,4-dimethylpent-2-en-3-amine
CID 21719823
(E)-N,4-dimethylpent-2-en-3-amine
CID 22094907
N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 23567921
4-Methyl-6-propyl-1,2,3,4-tetrahydropyridine
CID 53918850

Frequently Asked Questions

What is the IUPAC name of (2E)-N,5-dimethylhepta-2,6-dien-2-amine?
The IUPAC name of (2E)-N,5-dimethylhepta-2,6-dien-2-amine (CID 166992213) is (2E)-N,5-dimethylhepta-2,6-dien-2-amine.
What is the SMILES notation for (2E)-N,5-dimethylhepta-2,6-dien-2-amine?
The canonical SMILES for (2E)-N,5-dimethylhepta-2,6-dien-2-amine is C=CC(C)C/C=C(\C)NC.
What is the InChIKey of (2E)-N,5-dimethylhepta-2,6-dien-2-amine?
The InChIKey is ZHMMDPMLIBDYNX-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,7-8,10H,1,6H2,2-4H3/b9-7+.
What are the key properties of (2E)-N,5-dimethylhepta-2,6-dien-2-amine?
(2E)-N,5-dimethylhepta-2,6-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,5-dimethylhepta-2,6-dien-2-amine is sourced from PubChem (CID 166992213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).