N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine

C15H24N2 — CID 143058888

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine
SMILESC/C=N\C(=C1\C=CC=CC1)N(CCC)CCC
InChIInChI=1S/C15H24N2/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14/h6-10H,4-5,11-13H2,1-3H3/b15-14+,16-6-
InChIKeyDGJJIVSJMXOCFL-HTIIQCRUSA-N
MW232.37 g/mol
LogP3.93
Rot. Bonds6

About N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine

N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine (PubChem CID 143058888) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine
PubChem CID143058888
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine
SMILESC/C=N\C(=C1\C=CC=CC1)N(CCC)CCC
InChIInChI=1S/C15H24N2/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14/h6-10H,4-5,11-13H2,1-3H3/b15-14+,16-6-
InChIKeyDGJJIVSJMXOCFL-HTIIQCRUSA-N
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
CID 90796897
1-(cyclohexa-2,4-dien-1-ylmethyl)-3,6-dihydro-2H-pyrrolo[2,3-b]azepine
CID 141790681
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane
CID 143058887
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
CID 143058901
ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
CID 143449322
5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-1-propyl-2H-pyrimidine
CID 144168442
ethane;2-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methyl-2H-pyrimidine
CID 144410975
1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine
CID 144745981
(1Z,6E,8Z)-8-[(Z)-but-1-enyl]-N,N,7-trimethyl-4,5-dihydro-3H-azonin-9-amine
CID 145017805
6-Methyl-3,8a-dihydroimidazo[1,2-a]pyridine
CID 155042080
N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
CID 170275189
5-[(3Z)-hepta-1,3,6-trien-2-yl]-1,2-dimethyl-2H-pyrimidine
CID 173954904

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine (CID 143058888) is N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine is C/C=N\C(=C1\C=CC=CC1)N(CCC)CCC.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine?
The InChIKey is DGJJIVSJMXOCFL-HTIIQCRUSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14/h6-10H,4-5,11-13H2,1-3H3/b15-14+,16-6-.
What are the key properties of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine?
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 143058888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).