(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine

C9H16N2 — CID 142057474

IUPAC(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
SMILESC=C/C=C\C(CNCC)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-7-9(10-3)8-11-5-2/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9+
InChIKeyDBJJVSHNDFOHRL-IXWMQOLASA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds5

About (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine

(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine (PubChem CID 142057474) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
PubChem CID142057474
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
SMILESC=C/C=C\C(CNCC)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-7-9(10-3)8-11-5-2/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9+
InChIKeyDBJJVSHNDFOHRL-IXWMQOLASA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
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

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
Potassium propan-2-yl-(7-propan-2-ylazaniumylidenecyclohepta-1,3,5-trien-1-yl)azanide
CID 176421302
4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
methyl-[(3E,5E)-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 57895519
(4E)-N-(Butan-2-yl)-4-[(butan-2-yl)imino]pent-2-en-2-amine
CID 71427987
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
N-ethyl-4-methyliminopent-2-en-2-amine
CID 76225419
(Z)-4-methylimino-N-prop-2-enylpent-2-en-2-amine
CID 89792414
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-propylethane-1,2-diamine
CID 117908132

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine (CID 142057474) is (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine is C=C/C=C\C(CNCC)=N/C.
What is the InChIKey of (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine?
The InChIKey is DBJJVSHNDFOHRL-IXWMQOLASA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-7-9(10-3)8-11-5-2/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9+.
What are the key properties of (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine?
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine is sourced from PubChem (CID 142057474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).