N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine

C13H27N3 — CID 95562052

IUPACN-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNN=C1CCCCCC1
InChIInChI=1S/C13H27N3/c1-3-16(4-2)12-11-14-15-13-9-7-5-6-8-10-13/h14H,3-12H2,1-2H3
InChIKeyGRDRUNABOHZZDY-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.63
Rot. Bonds6

About N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine

N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine (PubChem CID 95562052) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine
PubChem CID95562052
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNN=C1CCCCCC1
InChIInChI=1S/C13H27N3/c1-3-16(4-2)12-11-14-15-13-9-7-5-6-8-10-13/h14H,3-12H2,1-2H3
InChIKeyGRDRUNABOHZZDY-UHFFFAOYSA-N
XLogP2.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylideneamino)butan-1-amine
CID 90800820
(diethylsulfamoylhydrazinylidene)cyclohexane
CID 71344027
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CID 130649638
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
but-2-enedioic acid;2-(cyclododecylideneamino)oxy-N,N-diethylethanamine
CID 173439122
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
N-(cyclohexylideneamino)hydroxylamine
CID 12671827
N,N-diethyl-2-hydrazinylethanamine
CID 3028735
1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol
CID 60710659
1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
CID 20572588
N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine
CID 132563504

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine (CID 95562052) is N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine?
The InChIKey is GRDRUNABOHZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-16(4-2)12-11-14-15-13-9-7-5-6-8-10-13/h14H,3-12H2,1-2H3.
What are the key properties of N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine?
N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 95562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).