1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine

C17H33N3 — CID 62472923

IUPAC1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cc(C)n(C)c1C
InChIInChI=1S/C17H33N3/c1-7-20(8-2)11-9-10-14(3)18-13-17-12-15(4)19(6)16(17)5/h12,14,18H,7-11,13H2,1-6H3
InChIKeyJHWCBVKRGTYTCS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.24
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine (PubChem CID 62472923) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
PubChem CID62472923
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cc(C)n(C)c1C
InChIInChI=1S/C17H33N3/c1-7-20(8-2)11-9-10-14(3)18-13-17-12-15(4)19(6)16(17)5/h12,14,18H,7-11,13H2,1-6H3
InChIKeyJHWCBVKRGTYTCS-UHFFFAOYSA-N
XLogP3.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-4-amine
CID 114138041
1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
CID 45282124
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 4825725
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine
CID 79604822
4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentan-1-amine
CID 62473871
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
1-N,1-N-diethyl-4-N-(pyren-1-ylmethyl)pentane-1,4-diamine
CID 14762977

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine (CID 62472923) is 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1cc(C)n(C)c1C.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is JHWCBVKRGTYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-20(8-2)11-9-10-14(3)18-13-17-12-15(4)19(6)16(17)5/h12,14,18H,7-11,13H2,1-6H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine has a molecular weight of 279.47 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 62472923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).