N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine

C10H16N2 — CID 123468656

IUPACN-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=CC=CC(=C)N(C)N=CCC
InChIInChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5,7-9H,1,3,6H2,2,4H3
InChIKeyUCKOJRNXVOCXCZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds5

About N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine

N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine (PubChem CID 123468656) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound NameN-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine
PubChem CID123468656
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=CC=CC(=C)N(C)N=CCC
InChIInChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5,7-9H,1,3,6H2,2,4H3
InChIKeyUCKOJRNXVOCXCZ-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
[[[(3Z)-hexa-1,3,5-trien-2-yl]-methylamino]-methylamino]methanol
CID 174258657
(2Z)-N'-ethenyl-N-ethyl-N-methylpenta-2,4-dienimidamide
CID 166999090
1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
CID 90839193
5-methylocta-1,3,5-triene
CID 123706098
N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
N-hexa-1,3,5-trien-2-yl-N,N'-dimethylbenzenecarboximidamide
CID 123787370
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine?
The IUPAC name of N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine (CID 123468656) is N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine?
The canonical SMILES for N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine is C=CC=CC(=C)N(C)N=CCC.
What is the InChIKey of N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine?
The InChIKey is UCKOJRNXVOCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-8-10(3)12(4)11-9-6-2/h5,7-9H,1,3,6H2,2,4H3.
What are the key properties of N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine?
N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 123468656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).