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

C17H30N2 — CID 143058887

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane
SMILESC/C=N\C(=C1\C=CC=CC1)N(CCC)CCC.CC
InChIInChI=1S/C15H24N2.C2H6/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14;1-2/h6-10H,4-5,11-13H2,1-3H3;1-2H3/b15-14+,16-6-;
InChIKeyXLJANEQKWXJCJJ-AWIXLRJGSA-N
MW262.44 g/mol
LogP4.95
Rot. Bonds6

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

N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane (PubChem CID 143058887) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane
PubChem CID143058887
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane
SMILESC/C=N\C(=C1\C=CC=CC1)N(CCC)CCC.CC
InChIInChI=1S/C15H24N2.C2H6/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14;1-2/h6-10H,4-5,11-13H2,1-3H3;1-2H3/b15-14+,16-6-;
InChIKeyXLJANEQKWXJCJJ-AWIXLRJGSA-N
XLogP4.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.95
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

ethane;N-[1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]propa-1,2-dienyl]-N-propylbutan-1-amine
CID 141939399
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
CID 143058901
5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-1-propyl-2H-pyrimidine
CID 144168442
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
N-[1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]propa-1,2-dienyl]-N-propylbutan-1-amine
CID 141939400
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine
CID 143058888
N-(2-cyclohepta-1,4,6-trien-1-ylethyl)-N,N'-dimethyl-N'-[1-[(Z)-2-methyliminoethylideneamino]ethenyl]ethane-1,2-diamine
CID 144147441

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane (CID 143058887) is N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane is C/C=N\C(=C1\C=CC=CC1)N(CCC)CCC.CC.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane?
The InChIKey is XLJANEQKWXJCJJ-AWIXLRJGSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-4-12-17(13-5-2)15(16-6-3)14-10-8-7-9-11-14;1-2/h6-10H,4-5,11-13H2,1-3H3;1-2H3/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;ethane?
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane has a molecular weight of 262.44 g/mol, XLogP of 4.95, 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;ethane is sourced from PubChem (CID 143058887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).