N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine

C8H14N2 — CID 58455185

IUPACN-methyl-3-(3H-pyrrol-4-yl)propan-1-amine
SMILESCNCCCC1=CN=CC1
InChIInChI=1S/C8H14N2/c1-9-5-2-3-8-4-6-10-7-8/h6-7,9H,2-5H2,1H3
InChIKeyHQYMFRGYDRHKRF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine

N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine (PubChem CID 58455185) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3H-pyrrol-4-yl)propan-1-amine
PubChem CID58455185
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-3-(3H-pyrrol-4-yl)propan-1-amine
SMILESCNCCCC1=CN=CC1
InChIInChI=1S/C8H14N2/c1-9-5-2-3-8-4-6-10-7-8/h6-7,9H,2-5H2,1H3
InChIKeyHQYMFRGYDRHKRF-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
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

(1S)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426938
(1R)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426953
3-(2,3-dihydro-1H-pyrrol-4-yl)propan-1-imine
CID 88999256
N-(3H-pyrrol-4-ylmethyl)ethanamine
CID 118908241
2-(3H-pyrrol-4-yl)ethanamine
CID 119090608
1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 142884393
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088
ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen
CID 156797046
N-methyl-3-(4-methyl-3H-pyrrol-2-yl)propan-1-amine
CID 177320256
N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 76783276
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine
CID 143587089
(Z)-8-(ethyliminomethyl)-N-methyl-9-(methylideneamino)non-8-en-1-amine
CID 155740812

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine (CID 58455185) is N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine is CNCCCC1=CN=CC1.
What is the InChIKey of N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine?
The InChIKey is HQYMFRGYDRHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-5-2-3-8-4-6-10-7-8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine?
N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine is sourced from PubChem (CID 58455185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).