N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine

C11H27N3 — CID 107442614

IUPACN'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(CN(C)C)NCC(CN)C(C)C
InChIInChI=1S/C11H27N3/c1-9(2)11(6-12)7-13-10(3)8-14(4)5/h9-11,13H,6-8,12H2,1-5H3
InChIKeyUVYKTMVCSPONJH-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.76
Rot. Bonds7

About N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine

N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442614) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442614
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(CN(C)C)NCC(CN)C(C)C
InChIInChI=1S/C11H27N3/c1-9(2)11(6-12)7-13-10(3)8-14(4)5/h9-11,13H,6-8,12H2,1-5H3
InChIKeyUVYKTMVCSPONJH-UHFFFAOYSA-N
XLogP0.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613
2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 23008779
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441820
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
CID 114010183
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
CID 104868008
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
N'-hex-5-yn-3-yl-2-propan-2-ylpropane-1,3-diamine
CID 107442743
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883

Frequently Asked Questions

What is the IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine (CID 107442614) is N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine is CC(CN(C)C)NCC(CN)C(C)C.
What is the InChIKey of N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is UVYKTMVCSPONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-9(2)11(6-12)7-13-10(3)8-14(4)5/h9-11,13H,6-8,12H2,1-5H3.
What are the key properties of N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine?
N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)propan-2-yl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).