2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

C15H35N3 — CID 83054328

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCCN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-15(13-16-12-14(2)3)18(6)11-8-10-17(4)5/h14-16H,7-13H2,1-6H3
InChIKeyBFIRDMREUBFSFB-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.28
Rot. Bonds11

About 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 83054328) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID83054328
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCCN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-15(13-16-12-14(2)3)18(6)11-8-10-17(4)5/h14-16H,7-13H2,1-6H3
InChIKeyBFIRDMREUBFSFB-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83043429
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054297
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054356
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 83042410
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 83054328) is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is BFIRDMREUBFSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-7-9-15(13-16-12-14(2)3)18(6)11-8-10-17(4)5/h14-16H,7-13H2,1-6H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 83054328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).