N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine

C13H24N2O — CID 123930931

IUPACN-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCOC1=CC=CCC1
InChIInChI=1S/C13H24N2O/c1-12(2)15-9-8-14-10-11-16-13-6-4-3-5-7-13/h3-4,6,12,14-15H,5,7-11H2,1-2H3
InChIKeyOWWYWFIPRFPCLR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.82
Rot. Bonds8

About N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine

N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 123930931) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID123930931
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCOC1=CC=CCC1
InChIInChI=1S/C13H24N2O/c1-12(2)15-9-8-14-10-11-16-13-6-4-3-5-7-13/h3-4,6,12,14-15H,5,7-11H2,1-2H3
InChIKeyOWWYWFIPRFPCLR-UHFFFAOYSA-N
XLogP1.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
Morpholine, 5-(2,4-heptadienyl)-2-methyl-
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2-cyclohexa-1,3-dien-1-yloxy-N-methylethanamine
CID 17920106
(2R,3R)-2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 60076848
N'-[[(3R)-3-amino-3,4-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 68047756
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797
1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
CID 142202943
1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane
CID 142908130
1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine
CID 142908131

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine (CID 123930931) is N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCCOC1=CC=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OWWYWFIPRFPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)15-9-8-14-10-11-16-13-6-4-3-5-7-13/h3-4,6,12,14-15H,5,7-11H2,1-2H3.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 123930931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).