N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine

C10H16N2 — CID 91026933

IUPACN-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
SMILESC=CC=NN(C)C(C)=CC=CC
InChIInChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5-9H,2H2,1,3-4H3
InChIKeyXSFGHHZJIOGVSS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds4

About N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine

N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine (PubChem CID 91026933) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine.

Molecular Properties

Compound NameN-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
PubChem CID91026933
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
SMILESC=CC=NN(C)C(C)=CC=CC
InChIInChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5-9H,2H2,1,3-4H3
InChIKeyXSFGHHZJIOGVSS-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-[(Z)-ethylideneamino]-3-fluoro-N-methylpenta-2,4-dien-2-amine
CID 138701610
(Z)-N-(4-fluoro-2-methylidene-1-pyridinyl)ethanimine
CID 139374508
N-[(E)-[(2E,4E)-hexa-2,4-dienylidene]amino]-N-methylmethanamine
CID 12451671
1-Ethyldiazepine
CID 22068524
1-Methyl-6-methylidenepyridazine
CID 57558126
1-Propan-2-yl-6-propan-2-ylidenepyridazine
CID 57686807
(Z)-1-(6-methylidenepyridazin-1-yl)prop-1-en-2-amine
CID 68215653
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(2Z,4Z,6Z)-N-methyl-N-(methylideneamino)nona-2,4,6,8-tetraen-2-amine
CID 88328215
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
(1Z)-N-[(Z)-ethylideneamino]-N-propan-2-ylbuta-1,3-dien-1-amine
CID 88922600
(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
CID 88923578

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine?
The IUPAC name of N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine (CID 91026933) is N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine.
What is the SMILES notation for N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine?
The canonical SMILES for N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine is C=CC=NN(C)C(C)=CC=CC.
What is the InChIKey of N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine?
The InChIKey is XSFGHHZJIOGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5-9H,2H2,1,3-4H3.
What are the key properties of N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine?
N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine is sourced from PubChem (CID 91026933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).