N,N-dimethylhepta-1,3,5-trien-4-amine

C9H15N — CID 72511358

IUPACN,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=CC=C(C=CC)N(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3
InChIKeyVLZNLAYXLJGURE-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.19
Rot. Bonds3

About N,N-dimethylhepta-1,3,5-trien-4-amine

N,N-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 72511358) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound NameN,N-dimethylhepta-1,3,5-trien-4-amine
PubChem CID72511358
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=CC=C(C=CC)N(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3
InChIKeyVLZNLAYXLJGURE-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 139420267
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
2-fluoro-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine
CID 155120309

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of N,N-dimethylhepta-1,3,5-trien-4-amine (CID 72511358) is N,N-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for N,N-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for N,N-dimethylhepta-1,3,5-trien-4-amine is C=CC=C(C=CC)N(C)C.
What is the InChIKey of N,N-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is VLZNLAYXLJGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3.
What are the key properties of N,N-dimethylhepta-1,3,5-trien-4-amine?
N,N-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 137.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 72511358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).