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

C19H36N2 — CID 79108703

IUPACN-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
SMILESCCCCCCCCCCn1cccc1C(C)NCCC
InChIInChI=1S/C19H36N2/c1-4-6-7-8-9-10-11-12-16-21-17-13-14-19(21)18(3)20-15-5-2/h13-14,17-18,20H,4-12,15-16H2,1-3H3
InChIKeyARFDWBSZHVQXPP-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.69
Rot. Bonds13

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

N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine (PubChem CID 79108703) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
PubChem CID79108703
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
SMILESCCCCCCCCCCn1cccc1C(C)NCCC
InChIInChI=1S/C19H36N2/c1-4-6-7-8-9-10-11-12-16-21-17-13-14-19(21)18(3)20-15-5-2/h13-14,17-18,20H,4-12,15-16H2,1-3H3
InChIKeyARFDWBSZHVQXPP-UHFFFAOYSA-N
XLogP5.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
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-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine (CID 79108703) is N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine is CCCCCCCCCCn1cccc1C(C)NCCC.
What is the InChIKey of N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine?
The InChIKey is ARFDWBSZHVQXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-6-7-8-9-10-11-12-16-21-17-13-14-19(21)18(3)20-15-5-2/h13-14,17-18,20H,4-12,15-16H2,1-3H3.
What are the key properties of N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine?
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79108703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).