(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine

C12H25N3 — CID 134358829

IUPAC(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCC(C)C)CCC
InChIInChI=1S/C12H25N3/c1-5-9-15(14-4)10-12(13)8-6-7-11(2)3/h10-11H,4-9,13H2,1-3H3/b12-10-
InChIKeyPLCULCOEQBEMQH-BENRWUELSA-N
MW211.35 g/mol
LogP2.94
Rot. Bonds8

About (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine

(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine (PubChem CID 134358829) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine
PubChem CID134358829
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine
SMILESC=NN(/C=C(\N)CCCC(C)C)CCC
InChIInChI=1S/C12H25N3/c1-5-9-15(14-4)10-12(13)8-6-7-11(2)3/h10-11H,4-9,13H2,1-3H3/b12-10-
InChIKeyPLCULCOEQBEMQH-BENRWUELSA-N
XLogP2.94
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine?
The IUPAC name of (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine (CID 134358829) is (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine?
The canonical SMILES for (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine is C=NN(/C=C(\N)CCCC(C)C)CCC.
What is the InChIKey of (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine?
The InChIKey is PLCULCOEQBEMQH-BENRWUELSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-9-15(14-4)10-12(13)8-6-7-11(2)3/h10-11H,4-9,13H2,1-3H3/b12-10-.
What are the key properties of (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine?
(Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-1-N-(methylideneamino)-1-N-propylhept-1-ene-1,2-diamine is sourced from PubChem (CID 134358829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).