3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane

C21H50N4 — CID 144892281

IUPAC3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane
SMILESCCC.CCC(C)(NC(C)CN(C)C(C)CN(C)C)C(C)CN(C)C
InChIInChI=1S/C18H42N4.C3H8/c1-11-18(5,15(2)12-20(6)7)19-16(3)13-22(10)17(4)14-21(8)9;1-3-2/h15-17,19H,11-14H2,1-10H3;3H2,1-2H3
InChIKeyWKWUOQHRVYDGPI-UHFFFAOYSA-N
MW358.66 g/mol
LogP3.63
Rot. Bonds11

About 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane

3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane (PubChem CID 144892281) has the molecular formula C21H50N4 and a molecular weight of 358.66 g/mol. Its IUPAC name is 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane.

Molecular Properties

Compound Name3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane
PubChem CID144892281
Molecular FormulaC21H50N4
Molecular Weight358.66 g/mol
Exact Mass358.40
IUPAC Name3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane
SMILESCCC.CCC(C)(NC(C)CN(C)C(C)CN(C)C)C(C)CN(C)C
InChIInChI=1S/C18H42N4.C3H8/c1-11-18(5,15(2)12-20(6)7)19-16(3)13-22(10)17(4)14-21(8)9;1-3-2/h15-17,19H,11-14H2,1-10H3;3H2,1-2H3
InChIKeyWKWUOQHRVYDGPI-UHFFFAOYSA-N
XLogP3.63
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
1-(dimethylamino)-2-methylpentane-3,3-diol
CID 141326424
2-N-tert-butyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 18340921
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
N-[1-(dimethylamino)propan-2-yl]-N,N',2-triethyl-2-methylpropane-1,3-diamine
CID 103191319
3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 23008779
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945735
3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine
CID 174636607
N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
CID 168977512

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane?
The IUPAC name of 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane (CID 144892281) is 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane.
What is the SMILES notation for 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane?
The canonical SMILES for 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane is CCC.CCC(C)(NC(C)CN(C)C(C)CN(C)C)C(C)CN(C)C.
What is the InChIKey of 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane?
The InChIKey is WKWUOQHRVYDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4.C3H8/c1-11-18(5,15(2)12-20(6)7)19-16(3)13-22(10)17(4)14-21(8)9;1-3-2/h15-17,19H,11-14H2,1-10H3;3H2,1-2H3.
What are the key properties of 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane?
3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane has a molecular weight of 358.66 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane is sourced from PubChem (CID 144892281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).