(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine

C10H16N2 — CID 143597093

IUPAC(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine
SMILESC=C/C(CN=C)=C(C)/C=C\CN
InChIInChI=1S/C10H16N2/c1-4-10(8-12-3)9(2)6-5-7-11/h4-6H,1,3,7-8,11H2,2H3/b6-5-,10-9-
InChIKeyKCICNNILULOKFS-WBHJMADESA-N
MW164.25 g/mol
LogP1.70
Rot. Bonds5

About (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine

(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine (PubChem CID 143597093) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine
PubChem CID143597093
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine
SMILESC=C/C(CN=C)=C(C)/C=C\CN
InChIInChI=1S/C10H16N2/c1-4-10(8-12-3)9(2)6-5-7-11/h4-6H,1,3,7-8,11H2,2H3/b6-5-,10-9-
InChIKeyKCICNNILULOKFS-WBHJMADESA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methyl-6-(methylideneamino)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
CID 144356904
4-Methylhepta-2,4-dien-1-amine
CID 3826314
(2E,4E)-4-methylhepta-2,4-dien-1-amine
CID 6375743
4-Methylocta-2,4-dien-1-amine
CID 53769574
4-Ethylhepta-2,4-dien-1-amine
CID 54377541
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
(2E,4E)-4-ethylhepta-2,4-dien-1-amine
CID 55285711
(2Z,4Z)-4-ethylhepta-2,4-dien-1-amine
CID 88271799
(2Z,4E)-4-methylhepta-2,4-dien-1-amine
CID 88385902
(2Z,4E)-4-ethylhepta-2,4-dien-1-amine
CID 88386158
(2Z,4Z)-N,4-dimethylhepta-2,4-dien-1-amine
CID 88535084
(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine
CID 88585963

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine (CID 143597093) is (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine is C=C/C(CN=C)=C(C)/C=C\CN.
What is the InChIKey of (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine?
The InChIKey is KCICNNILULOKFS-WBHJMADESA-N. The full InChI is InChI=1S/C10H16N2/c1-4-10(8-12-3)9(2)6-5-7-11/h4-6H,1,3,7-8,11H2,2H3/b6-5-,10-9-.
What are the key properties of (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine?
(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143597093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).