2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine

C8H15N3 — CID 134179661

IUPAC2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN)N/C=C(C)\C=N\C
InChIInChI=1S/C8H15N3/c1-7(5-10-3)6-11-8(2)4-9/h5-6,11H,2,4,9H2,1,3H3/b7-6-,10-5+
InChIKeyNPBQPYPFKNCHMZ-JQEGGOPCSA-N
MW153.23 g/mol
LogP0.65
Rot. Bonds4

About 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine

2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine (PubChem CID 134179661) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine
PubChem CID134179661
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN)N/C=C(C)\C=N\C
InChIInChI=1S/C8H15N3/c1-7(5-10-3)6-11-8(2)4-9/h5-6,11H,2,4,9H2,1,3H3/b7-6-,10-5+
InChIKeyNPBQPYPFKNCHMZ-JQEGGOPCSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine (CID 134179661) is 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine is C=C(CN)N/C=C(C)\C=N\C.
What is the InChIKey of 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine?
The InChIKey is NPBQPYPFKNCHMZ-JQEGGOPCSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(5-10-3)6-11-8(2)4-9/h5-6,11H,2,4,9H2,1,3H3/b7-6-,10-5+.
What are the key properties of 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine?
2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-2-methyl-3-methyliminoprop-1-enyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 134179661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).