N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine

C11H21N3 — CID 142057491

IUPACN-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(N=C)=C(/C)N.CCNC
InChIInChI=1S/C8H12N2.C3H9N/c1-4-5-6-8(10-3)7(2)9;1-3-4-2/h4-6H,1,3,9H2,2H3;4H,3H2,1-2H3/b6-5-,8-7-;
InChIKeyFMAXOIXLNPRDSX-OICKEEGDSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds4

About N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine

N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine (PubChem CID 142057491) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound NameN-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine
PubChem CID142057491
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(N=C)=C(/C)N.CCNC
InChIInChI=1S/C8H12N2.C3H9N/c1-4-5-6-8(10-3)7(2)9;1-3-4-2/h4-6H,1,3,9H2,2H3;4H,3H2,1-2H3/b6-5-,8-7-;
InChIKeyFMAXOIXLNPRDSX-OICKEEGDSA-N
XLogP1.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
5-methylocta-1,3,5-triene
CID 123706098

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine?
The IUPAC name of N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine (CID 142057491) is N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine?
The canonical SMILES for N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine is C=C/C=C\C(N=C)=C(/C)N.CCNC.
What is the InChIKey of N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine?
The InChIKey is FMAXOIXLNPRDSX-OICKEEGDSA-N. The full InChI is InChI=1S/C8H12N2.C3H9N/c1-4-5-6-8(10-3)7(2)9;1-3-4-2/h4-6H,1,3,9H2,2H3;4H,3H2,1-2H3/b6-5-,8-7-;.
What are the key properties of N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine?
N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;(2Z,4Z)-3-(methylideneamino)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 142057491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).