N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine

C19H39N2P — CID 132563504

IUPACN-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1=C(P(C(C)(C)C)C(C)(C)C)CCC1
InChIInChI=1S/C19H39N2P/c1-9-21(10-2)15-14-20-16-12-11-13-17(16)22(18(3,4)5)19(6,7)8/h20H,9-15H2,1-8H3
InChIKeyPQHKTGIKCQBRAV-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.39
Rot. Bonds7

About N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine

N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 132563504) has the molecular formula C19H39N2P and a molecular weight of 326.51 g/mol. Its IUPAC name is N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID132563504
Molecular FormulaC19H39N2P
Molecular Weight326.51 g/mol
Exact Mass326.29
IUPAC NameN-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1=C(P(C(C)(C)C)C(C)(C)C)CCC1
InChIInChI=1S/C19H39N2P/c1-9-21(10-2)15-14-20-16-12-11-13-17(16)22(18(3,4)5)19(6,7)8/h20H,9-15H2,1-8H3
InChIKeyPQHKTGIKCQBRAV-UHFFFAOYSA-N
XLogP5.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43439610
N-(cycloheptylideneamino)-N',N'-diethylethane-1,2-diamine
CID 95562052
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
N-(10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-N',N'-diethylethane-1,2-diamine
CID 82066525
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
CID 3069986
N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
CID 107913963
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
N-(13,14-dichloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-N',N'-diethylethane-1,2-diamine
CID 70357391

Frequently Asked Questions

What is the IUPAC name of N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine (CID 132563504) is N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1=C(P(C(C)(C)C)C(C)(C)C)CCC1.
What is the InChIKey of N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is PQHKTGIKCQBRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2P/c1-9-21(10-2)15-14-20-16-12-11-13-17(16)22(18(3,4)5)19(6,7)8/h20H,9-15H2,1-8H3.
What are the key properties of N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine?
N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 326.51 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ditert-butylphosphanylcyclopenten-1-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 132563504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).