N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine

C9H14N2O — CID 142233106

IUPACN-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine
SMILESC=COC(=C\C)/C(C=C)=N/NC
InChIInChI=1S/C9H14N2O/c1-5-8(11-10-4)9(6-2)12-7-3/h5-7,10H,1,3H2,2,4H3/b9-6-,11-8+
InChIKeyALRYKYAIESKLKP-DJAXYUIYSA-N
MW166.22 g/mol
LogP1.81
Rot. Bonds5

About N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine

N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine (PubChem CID 142233106) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine
PubChem CID142233106
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine
SMILESC=COC(=C\C)/C(C=C)=N/NC
InChIInChI=1S/C9H14N2O/c1-5-8(11-10-4)9(6-2)12-7-3/h5-7,10H,1,3H2,2,4H3/b9-6-,11-8+
InChIKeyALRYKYAIESKLKP-DJAXYUIYSA-N
XLogP1.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
CID 172960803
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
CID 134360187
N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
CID 144526750
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
CID 143433046
1-ethenoxy-N,N-dimethylethenamine
CID 123147694

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine (CID 142233106) is N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine is C=COC(=C\C)/C(C=C)=N/NC.
What is the InChIKey of N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine?
The InChIKey is ALRYKYAIESKLKP-DJAXYUIYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-8(11-10-4)9(6-2)12-7-3/h5-7,10H,1,3H2,2,4H3/b9-6-,11-8+.
What are the key properties of N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine?
N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine has a molecular weight of 166.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine is sourced from PubChem (CID 142233106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).