N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine

C13H25N3 — CID 139538976

IUPACN'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine
SMILES[H]/N=C(C)/C=C\C(=C/C)N(CCC)CCNC
InChIInChI=1S/C13H25N3/c1-5-10-16(11-9-15-4)13(6-2)8-7-12(3)14/h6-8,14-15H,5,9-11H2,1-4H3/b8-7-,13-6+,14-12+
InChIKeyCSHNUUWSGKKIDF-FLFHBANYSA-N
MW223.36 g/mol
LogP2.42
Rot. Bonds8

About N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine

N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 139538976) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine
PubChem CID139538976
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine
SMILES[H]/N=C(C)/C=C\C(=C/C)N(CCC)CCNC
InChIInChI=1S/C13H25N3/c1-5-10-16(11-9-15-4)13(6-2)8-7-12(3)14/h6-8,14-15H,5,9-11H2,1-4H3/b8-7-,13-6+,14-12+
InChIKeyCSHNUUWSGKKIDF-FLFHBANYSA-N
XLogP2.42
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.42
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

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
2,3-dihydro-1H-cyclohepta[b]pyrazine
CID 14174472
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
8-Dihydro-2,4,9,11-tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 129657710
N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
CID 162408251
2,5,8-Triazatricyclo[7.4.1.05,14]tetradeca-1,9(14),10,12-tetraene
CID 97545949
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
CID 66661341
N-(2-(N,N-dimethylamino)ethyl)-4-(2-(N,N-dimethylamino)ethylimino)-2-penten-2-amine
CID 86643204
N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 87437605
(Z)-4-methylimino-N-prop-2-enylpent-2-en-2-amine
CID 89792414
(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine
CID 90447086

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine (CID 139538976) is N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine is [H]/N=C(C)/C=C\C(=C/C)N(CCC)CCNC.
What is the InChIKey of N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is CSHNUUWSGKKIDF-FLFHBANYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-10-16(11-9-15-4)13(6-2)8-7-12(3)14/h6-8,14-15H,5,9-11H2,1-4H3/b8-7-,13-6+,14-12+.
What are the key properties of N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine?
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 139538976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).