N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine

C18H25N3 — CID 79099233

IUPACN-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCc2ccncc2)c1)C1CC1
InChIInChI=1S/C18H25N3/c1-2-9-20-18(16-3-4-16)17-8-13-21(14-17)12-7-15-5-10-19-11-6-15/h5-6,8,10-11,13-14,16,18,20H,2-4,7,9,12H2,1H3
InChIKeyINATTYPFVMAZIP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds8

About N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine

N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 79099233) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID79099233
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCc2ccncc2)c1)C1CC1
InChIInChI=1S/C18H25N3/c1-2-9-20-18(16-3-4-16)17-8-13-21(14-17)12-7-15-5-10-19-11-6-15/h5-6,8,10-11,13-14,16,18,20H,2-4,7,9,12H2,1H3
InChIKeyINATTYPFVMAZIP-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine (CID 79099233) is N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine is CCCNC(c1ccn(CCc2ccncc2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is INATTYPFVMAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-9-20-18(16-3-4-16)17-8-13-21(14-17)12-7-15-5-10-19-11-6-15/h5-6,8,10-11,13-14,16,18,20H,2-4,7,9,12H2,1H3.
What are the key properties of N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine?
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79099233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).