N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine

C16H28N2 — CID 79103410

IUPACN-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCCC(C)Cn1ccc(C(NCC)C2CC2)c1
InChIInChI=1S/C16H28N2/c1-4-6-13(3)11-18-10-9-15(12-18)16(17-5-2)14-7-8-14/h9-10,12-14,16-17H,4-8,11H2,1-3H3
InChIKeyQDEDQSFFFNYBLT-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.98
Rot. Bonds8

About N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine

N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 79103410) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID79103410
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCCC(C)Cn1ccc(C(NCC)C2CC2)c1
InChIInChI=1S/C16H28N2/c1-4-6-13(3)11-18-10-9-15(12-18)16(17-5-2)14-7-8-14/h9-10,12-14,16-17H,4-8,11H2,1-3H3
InChIKeyQDEDQSFFFNYBLT-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045583
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79103325
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
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
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine (CID 79103410) is N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine is CCCC(C)Cn1ccc(C(NCC)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is QDEDQSFFFNYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-13(3)11-18-10-9-15(12-18)16(17-5-2)14-7-8-14/h9-10,12-14,16-17H,4-8,11H2,1-3H3.
What are the key properties of N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 248.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79103410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).