1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine

C15H29N3 — CID 45282124

IUPAC1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cccn1C
InChIInChI=1S/C15H29N3/c1-5-18(6-2)12-7-9-14(3)16-13-15-10-8-11-17(15)4/h8,10-11,14,16H,5-7,9,12-13H2,1-4H3
InChIKeyFGBDATIQBXTCRV-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.63
Rot. Bonds9

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

1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine (PubChem CID 45282124) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
PubChem CID45282124
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cccn1C
InChIInChI=1S/C15H29N3/c1-5-18(6-2)12-7-9-14(3)16-13-15-10-8-11-17(15)4/h8,10-11,14,16H,5-7,9,12-13H2,1-4H3
InChIKeyFGBDATIQBXTCRV-UHFFFAOYSA-N
XLogP2.63
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]oct-7-en-2-amine
CID 115897982
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
CID 62472923
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-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
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
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
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
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-methylpyrrol-2-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine (CID 45282124) is 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1cccn1C.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine?
The InChIKey is FGBDATIQBXTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-18(6-2)12-7-9-14(3)16-13-15-10-8-11-17(15)4/h8,10-11,14,16H,5-7,9,12-13H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.63, 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-methylpyrrol-2-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 45282124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).