N,N-dimethylhepta-3,5-dien-3-amine

C9H17N — CID 91392433

IUPACN,N-dimethylhepta-3,5-dien-3-amine
SMILESCC=CC=C(CC)N(C)C
InChIInChI=1S/C9H17N/c1-5-7-8-9(6-2)10(3)4/h5,7-8H,6H2,1-4H3
InChIKeyDYPRYCJFBJEUGW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds3

About N,N-dimethylhepta-3,5-dien-3-amine

N,N-dimethylhepta-3,5-dien-3-amine (PubChem CID 91392433) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N-dimethylhepta-3,5-dien-3-amine.

Molecular Properties

Compound NameN,N-dimethylhepta-3,5-dien-3-amine
PubChem CID91392433
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N-dimethylhepta-3,5-dien-3-amine
SMILESCC=CC=C(CC)N(C)C
InChIInChI=1S/C9H17N/c1-5-7-8-9(6-2)10(3)4/h5,7-8H,6H2,1-4H3
InChIKeyDYPRYCJFBJEUGW-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
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

(1-Ethyl-propenyl)-dimethyl-amine
CID 5370379
(E)-3-(Dimethylamino)-2-pentene
CID 5463125
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
Dimethylaminofulvene
CID 90007951
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
CID 146595703
lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine
CID 170843645
(2Z,4Z)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
CID 173817772
(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
CID 143696626
N,N-dimethylpent-2-en-3-amine
CID 141698
1-Dimethylaminocyclohexa-1,3-diene
CID 5255616

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhepta-3,5-dien-3-amine?
The IUPAC name of N,N-dimethylhepta-3,5-dien-3-amine (CID 91392433) is N,N-dimethylhepta-3,5-dien-3-amine.
What is the SMILES notation for N,N-dimethylhepta-3,5-dien-3-amine?
The canonical SMILES for N,N-dimethylhepta-3,5-dien-3-amine is CC=CC=C(CC)N(C)C.
What is the InChIKey of N,N-dimethylhepta-3,5-dien-3-amine?
The InChIKey is DYPRYCJFBJEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-7-8-9(6-2)10(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of N,N-dimethylhepta-3,5-dien-3-amine?
N,N-dimethylhepta-3,5-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhepta-3,5-dien-3-amine is sourced from PubChem (CID 91392433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).