3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide

C12H27N3O — CID 79661269

IUPAC3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
SMILESCCCN(CC(C)C(N)=O)CC(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-5-6-15(7-10(2)11(14)16)9-12(3,4)8-13/h10H,5-9,13H2,1-4H3,(H2,14,16)
InChIKeyYEILNERTPDSWOJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.80
Rot. Bonds8

About 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide

3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide (PubChem CID 79661269) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
PubChem CID79661269
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
SMILESCCCN(CC(C)C(N)=O)CC(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-5-6-15(7-10(2)11(14)16)9-12(3,4)8-13/h10H,5-9,13H2,1-4H3,(H2,14,16)
InChIKeyYEILNERTPDSWOJ-UHFFFAOYSA-N
XLogP0.80
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
CID 82849978
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide (CID 79661269) is 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide is CCCN(CC(C)C(N)=O)CC(C)(C)CN.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide?
The InChIKey is YEILNERTPDSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-6-15(7-10(2)11(14)16)9-12(3,4)8-13/h10H,5-9,13H2,1-4H3,(H2,14,16).
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide?
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide has a molecular weight of 229.37 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide is sourced from PubChem (CID 79661269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).