N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine

C15H28N2 — CID 79101774

IUPACN-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CC(C)CCC
InChIInChI=1S/C15H28N2/c1-5-8-13(3)12-17-11-7-9-15(17)14(4)16-10-6-2/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3
InChIKeyGRBSULIEVRNTCE-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.98
Rot. Bonds8

About N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79101774) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79101774
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CC(C)CCC
InChIInChI=1S/C15H28N2/c1-5-8-13(3)12-17-11-7-9-15(17)14(4)16-10-6-2/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3
InChIKeyGRBSULIEVRNTCE-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108694
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine (CID 79101774) is N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1CC(C)CCC.
What is the InChIKey of N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is GRBSULIEVRNTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-8-13(3)12-17-11-7-9-15(17)14(4)16-10-6-2/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 236.40 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-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79101774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).