(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine

C8H15N3 — CID 143366519

IUPAC(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
SMILESC=C(N)C(/N=C/C)=C(\C)NC
InChIInChI=1S/C8H15N3/c1-5-11-8(6(2)9)7(3)10-4/h5,10H,2,9H2,1,3-4H3/b8-7-,11-5+
InChIKeyVXMYDPYBWXJMAF-LTCQKBRTSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds3

About (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine

(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine (PubChem CID 143366519) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
PubChem CID143366519
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
SMILESC=C(N)C(/N=C/C)=C(\C)NC
InChIInChI=1S/C8H15N3/c1-5-11-8(6(2)9)7(3)10-4/h5,10H,2,9H2,1,3-4H3/b8-7-,11-5+
InChIKeyVXMYDPYBWXJMAF-LTCQKBRTSA-N
XLogP1.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
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

(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
CID 142913403
ethylideneurea;N-methylprop-2-enamide
CID 159487096
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
CID 89096718
N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
CID 163263223
(1E)-2-N-methylbuta-1,3-diene-1,2,3-triamine
CID 166763683
1-N'-(ethylideneamino)ethene-1,1-diamine
CID 58774645
[2-amino-1-(methylaminomethylideneamino)prop-2-enylidene]tungsten
CID 163992206
ethyl (Z)-3-amino-2-(ethylideneamino)but-2-enoate
CID 143409146
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine (CID 143366519) is (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine is C=C(N)C(/N=C/C)=C(\C)NC.
What is the InChIKey of (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine?
The InChIKey is VXMYDPYBWXJMAF-LTCQKBRTSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11-8(6(2)9)7(3)10-4/h5,10H,2,9H2,1,3-4H3/b8-7-,11-5+.
What are the key properties of (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine?
(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 143366519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).