N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine

C11H19N — CID 90918921

IUPACN,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine
SMILESC=C(C)C(=CC)C(=CC)N(C)C
InChIInChI=1S/C11H19N/c1-7-10(9(3)4)11(8-2)12(5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyCNWQISBKEDOXIU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds3

About N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine

N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine (PubChem CID 90918921) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine
PubChem CID90918921
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine
SMILESC=C(C)C(=CC)C(=CC)N(C)C
InChIInChI=1S/C11H19N/c1-7-10(9(3)4)11(8-2)12(5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyCNWQISBKEDOXIU-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
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

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
Magnesidin
CID 139589189
[8-(Dimethylamino)naphth-1-yl]lithium
CID 12956553
N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
CID 155001788

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The IUPAC name of N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine (CID 90918921) is N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine.
What is the SMILES notation for N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The canonical SMILES for N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine is C=C(C)C(=CC)C(=CC)N(C)C.
What is the InChIKey of N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The InChIKey is CNWQISBKEDOXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(9(3)4)11(8-2)12(5)6/h7-8H,3H2,1-2,4-6H3.
What are the key properties of N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine?
N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine is sourced from PubChem (CID 90918921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).