N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine

C17H31N3 — CID 79103596

IUPACN-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCN(CC)CC)c1)C1CC1
InChIInChI=1S/C17H31N3/c1-4-10-18-17(15-7-8-15)16-9-11-20(14-16)13-12-19(5-2)6-3/h9,11,14-15,17-18H,4-8,10,12-13H2,1-3H3
InChIKeyAPBYTAYBWPHIJL-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.28
Rot. Bonds10

About N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine

N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 79103596) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID79103596
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCN(CC)CC)c1)C1CC1
InChIInChI=1S/C17H31N3/c1-4-10-18-17(15-7-8-15)16-9-11-20(14-16)13-12-19(5-2)6-3/h9,11,14-15,17-18H,4-8,10,12-13H2,1-3H3
InChIKeyAPBYTAYBWPHIJL-UHFFFAOYSA-N
XLogP3.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79103501
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine (CID 79103596) is N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine is CCCNC(c1ccn(CCN(CC)CC)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is APBYTAYBWPHIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-10-18-17(15-7-8-15)16-9-11-20(14-16)13-12-19(5-2)6-3/h9,11,14-15,17-18H,4-8,10,12-13H2,1-3H3.
What are the key properties of N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79103596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).