N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine

C18H26N2 — CID 79101978

IUPACN-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCCc1ccccc1
InChIInChI=1S/C18H26N2/c1-3-13-19-16(2)18-12-8-15-20(18)14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12,15-16,19H,3,7,11,13-14H2,1-2H3
InChIKeySFPBMSGRIUSIRI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.18
Rot. Bonds8

About N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79101978) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79101978
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CCCc1ccccc1
InChIInChI=1S/C18H26N2/c1-3-13-19-16(2)18-12-8-15-20(18)14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12,15-16,19H,3,7,11,13-14H2,1-2H3
InChIKeySFPBMSGRIUSIRI-UHFFFAOYSA-N
XLogP4.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.18
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-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
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-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
6-phenyl-N-propylhexan-2-amine
CID 61485022
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
3-[[2-[1-(propylamino)ethyl]pyrrol-1-yl]methyl]benzonitrile
CID 79102578
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine (CID 79101978) is N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1CCCc1ccccc1.
What is the InChIKey of N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is SFPBMSGRIUSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-13-19-16(2)18-12-8-15-20(18)14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12,15-16,19H,3,7,11,13-14H2,1-2H3.
What are the key properties of N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79101978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).