3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine

C10H19N3 — CID 170564796

IUPAC3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
SMILESNCCCc1ccc(CCCN)[nH]1
InChIInChI=1S/C10H19N3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h5-6,13H,1-4,7-8,11-12H2
InChIKeyPSYNPFMYVHQHSU-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.80
Rot. Bonds6

About 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine

3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine (PubChem CID 170564796) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
PubChem CID170564796
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
SMILESNCCCc1ccc(CCCN)[nH]1
InChIInChI=1S/C10H19N3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h5-6,13H,1-4,7-8,11-12H2
InChIKeyPSYNPFMYVHQHSU-UHFFFAOYSA-N
XLogP0.80
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22743257
3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463546
3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
CID 84772719
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
3-(2-pyridin-3-yl-1H-imidazol-5-yl)propan-1-amine
CID 82463630
3-(2-pentan-3-yl-1H-imidazol-5-yl)propan-1-amine
CID 82463512
benzene;3-phenylpropan-1-amine
CID 174865683
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
CID 83859576
3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
CID 83868222
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine (CID 170564796) is 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine is NCCCc1ccc(CCCN)[nH]1.
What is the InChIKey of 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine?
The InChIKey is PSYNPFMYVHQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h5-6,13H,1-4,7-8,11-12H2.
What are the key properties of 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine?
3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine is sourced from PubChem (CID 170564796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).