1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one

C12H26N2O — CID 102995101

IUPAC1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
SMILESCCCC(=O)CN(CC)CCCN(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-12(15)11-14(6-2)10-7-9-13(3)4/h5-11H2,1-4H3
InChIKeyUZVXCFHORJAMHD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.63
Rot. Bonds9

About 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one

1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one (PubChem CID 102995101) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
PubChem CID102995101
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
SMILESCCCC(=O)CN(CC)CCCN(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-12(15)11-14(6-2)10-7-9-13(3)4/h5-11H2,1-4H3
InChIKeyUZVXCFHORJAMHD-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one
CID 107507586
1-(dipropylamino)pentan-2-one
CID 62041814
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
1-[3-[bis[3-[bis[6-(dimethylamino)-3-oxohexyl]amino]propyl]amino]propyl-[6-(dimethylamino)-3-oxohexyl]amino]-6-(dimethylamino)hexan-3-one
CID 165064162
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
1-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870488
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one (CID 102995101) is 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one is CCCC(=O)CN(CC)CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one?
The InChIKey is UZVXCFHORJAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-8-12(15)11-14(6-2)10-7-9-13(3)4/h5-11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one?
1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one has a molecular weight of 214.35 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one is sourced from PubChem (CID 102995101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).