N-methyl-2-methylidenehexa-3,5-dien-1-amine

C8H13N — CID 90893908

IUPACN-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=CC=CC(=C)CNC
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-6,9H,1-2,7H2,3H3
InChIKeyROJZVXOEHQGBRI-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-2-methylidenehexa-3,5-dien-1-amine

N-methyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 90893908) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID90893908
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=CC=CC(=C)CNC
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-6,9H,1-2,7H2,3H3
InChIKeyROJZVXOEHQGBRI-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethyldihydropyridine
CID 424460
3-Methylen-1,2,3,6-tetrahydropyridine
CID 129860157
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 126710477
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(2E,4E)-5-fluoro-N-methylhepta-2,4-dien-1-amine
CID 134483981

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of N-methyl-2-methylidenehexa-3,5-dien-1-amine (CID 90893908) is N-methyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for N-methyl-2-methylidenehexa-3,5-dien-1-amine is C=CC=CC(=C)CNC.
What is the InChIKey of N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is ROJZVXOEHQGBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-6,9H,1-2,7H2,3H3.
What are the key properties of N-methyl-2-methylidenehexa-3,5-dien-1-amine?
N-methyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 90893908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).