1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

C9H22N2 — CID 62848218

IUPAC1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C)CC(C)(C)NC
InChIInChI=1S/C9H22N2/c1-6-7-11(5)8-9(2,3)10-4/h10H,6-8H2,1-5H3
InChIKeyABRQEILZUUKVCT-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds5

About 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (PubChem CID 62848218) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
PubChem CID62848218
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C)CC(C)(C)NC
InChIInChI=1S/C9H22N2/c1-6-7-11(5)8-9(2,3)10-4/h10H,6-8H2,1-5H3
InChIKeyABRQEILZUUKVCT-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
1-N-(2,2-dimethylpropyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846953
N,2,2-trimethyl-N-propylbutan-1-amine
CID 58772817
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
CID 165462267
1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
3-[[methyl(propyl)amino]methyl]pentan-3-ol
CID 115927293
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
2-methyl-2-[[methyl(propyl)amino]methyl]butanal
CID 62275627
N,N'-dimethyl-N'-propylmethanediamine;ethane
CID 142961631
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (CID 62848218) is 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is CCCN(C)CC(C)(C)NC.
What is the InChIKey of 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is ABRQEILZUUKVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-7-11(5)8-9(2,3)10-4/h10H,6-8H2,1-5H3.
What are the key properties of 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62848218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).