2-N-tert-butyl-2-N-ethylpropane-1,2-diamine

C9H22N2 — CID 131224561

IUPAC2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
SMILESCCN(C(C)CN)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6-7,10H2,1-5H3
InChIKeyUWEQYFMWNIBODN-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.45
Rot. Bonds3

About 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine

2-N-tert-butyl-2-N-ethylpropane-1,2-diamine (PubChem CID 131224561) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
PubChem CID131224561
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
SMILESCCN(C(C)CN)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6-7,10H2,1-5H3
InChIKeyUWEQYFMWNIBODN-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Di-tert-butylethylenediamine
CID 77680
1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
N,N'-Diisopropylethylenediamine
CID 77628
2-Amino-1,1-dimethylethylisopropylamine
CID 79532
(1-Tert-butylazetidin-2-yl)methanamine
CID 282395
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558
N,N,N'-Triisopropylethylenediamine
CID 66797
(2-Aminoethyl)(tert-butyl)amine
CID 12504477
N,N'-Bis(2-methyl-2-butyl)-ethylenediamine
CID 469905
N,N'-Diisopropyl-N-methyl-ethylenediamine
CID 469917
1,2-Propanediamine, N(sup 2)-butyl-2-methyl-
CID 3039391
(1-Amino-2-methylpropan-2-yl)dimethylamine
CID 9161360

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine (CID 131224561) is 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine is CCN(C(C)CN)C(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine?
The InChIKey is UWEQYFMWNIBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-11(8(2)7-10)9(3,4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine?
2-N-tert-butyl-2-N-ethylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 131224561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).