N',N'-diethyl-N-propan-2-ylethane-1,2-diamine

C9H22N2 — CID 12639037

IUPACN',N'-diethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)C
InChIInChI=1S/C9H22N2/c1-5-11(6-2)8-7-10-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeySRYCFYOMSLPFBO-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds6

About N',N'-diethyl-N-propan-2-ylethane-1,2-diamine

N',N'-diethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 12639037) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N',N'-diethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID12639037
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN',N'-diethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)C
InChIInChI=1S/C9H22N2/c1-5-11(6-2)8-7-10-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeySRYCFYOMSLPFBO-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triethylethylenediamine
CID 66040
N,N'-Di-tert-butylethylenediamine
CID 77680
1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
N-Isopropylethylenediamine
CID 88098
N-ethylbis(2-ethylaminoethyl)amine
CID 66931
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
1,4,7-Trimethyldiethylenetriamine
CID 66930
N,N'-Diisopropylethylenediamine
CID 77628
1-Isopropylpiperazine
CID 78013
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N,N'-Dipropylethylenediamine
CID 469899
1,2-Propanediamine, N2,N2-dimethyl-
CID 89217

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine (CID 12639037) is N',N'-diethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine is CCN(CC)CCNC(C)C.
What is the InChIKey of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is SRYCFYOMSLPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-11(6-2)8-7-10-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine?
N',N'-diethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 12639037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).