N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine

C14H27N3 — CID 82041457

IUPACN,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1ccc[nH]1
InChIInChI=1S/C14H27N3/c1-3-5-10-17(11-6-4-2)14(12-15)13-8-7-9-16-13/h7-9,14,16H,3-6,10-12,15H2,1-2H3
InChIKeyUPMVNMBDYHCOHH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.92
Rot. Bonds9

About N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine

N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine (PubChem CID 82041457) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
PubChem CID82041457
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1ccc[nH]1
InChIInChI=1S/C14H27N3/c1-3-5-10-17(11-6-4-2)14(12-15)13-8-7-9-16-13/h7-9,14,16H,3-6,10-12,15H2,1-2H3
InChIKeyUPMVNMBDYHCOHH-UHFFFAOYSA-N
XLogP2.92
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
CID 82040464
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
2-[butyl(methyl)amino]-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84749884
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
CID 82041220
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
2-heptan-3-yl-1H-pyrrole
CID 151647430
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
1-(1H-pyrrol-2-yl)octan-1-ol
CID 63749625
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine (CID 82041457) is N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine is CCCCN(CCCC)C(CN)c1ccc[nH]1.
What is the InChIKey of N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The InChIKey is UPMVNMBDYHCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-5-10-17(11-6-4-2)14(12-15)13-8-7-9-16-13/h7-9,14,16H,3-6,10-12,15H2,1-2H3.
What are the key properties of N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine?
N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82041457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).