N,N,5-trimethylhepta-2,4-dien-2-amine

C10H19N — CID 91421813

IUPACN,N,5-trimethylhepta-2,4-dien-2-amine
SMILESCCC(C)=CC=C(C)N(C)C
InChIInChI=1S/C10H19N/c1-6-9(2)7-8-10(3)11(4)5/h7-8H,6H2,1-5H3
InChIKeyMQAYUROSDZUJSC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds3

About N,N,5-trimethylhepta-2,4-dien-2-amine

N,N,5-trimethylhepta-2,4-dien-2-amine (PubChem CID 91421813) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,N,5-trimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound NameN,N,5-trimethylhepta-2,4-dien-2-amine
PubChem CID91421813
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,N,5-trimethylhepta-2,4-dien-2-amine
SMILESCCC(C)=CC=C(C)N(C)C
InChIInChI=1S/C10H19N/c1-6-9(2)7-8-10(3)11(4)5/h7-8H,6H2,1-5H3
InChIKeyMQAYUROSDZUJSC-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
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

Ethanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-
CID 585126
Dimethylaminofulvene
CID 90007951
N-(dimethyloctadienyl)diethylamine
CID 129811778
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 139386354
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine
CID 146392963
(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
CID 155001788
(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
CID 166968781
(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine
CID 167210327
(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine
CID 170279801

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethylhepta-2,4-dien-2-amine?
The IUPAC name of N,N,5-trimethylhepta-2,4-dien-2-amine (CID 91421813) is N,N,5-trimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for N,N,5-trimethylhepta-2,4-dien-2-amine?
The canonical SMILES for N,N,5-trimethylhepta-2,4-dien-2-amine is CCC(C)=CC=C(C)N(C)C.
What is the InChIKey of N,N,5-trimethylhepta-2,4-dien-2-amine?
The InChIKey is MQAYUROSDZUJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-9(2)7-8-10(3)11(4)5/h7-8H,6H2,1-5H3.
What are the key properties of N,N,5-trimethylhepta-2,4-dien-2-amine?
N,N,5-trimethylhepta-2,4-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 91421813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).