N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C16H27N3 — CID 66410553

IUPACN-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCn1cccc1CNC1CCN2CCCCC12
InChIInChI=1S/C16H27N3/c1-2-9-18-11-5-6-14(18)13-17-15-8-12-19-10-4-3-7-16(15)19/h5-6,11,15-17H,2-4,7-10,12-13H2,1H3
InChIKeyALOZYMCCBMNTQK-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.61
Rot. Bonds5

About N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 66410553) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID66410553
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCn1cccc1CNC1CCN2CCCCC12
InChIInChI=1S/C16H27N3/c1-2-9-18-11-5-6-14(18)13-17-15-8-12-19-10-4-3-7-16(15)19/h5-6,11,15-17H,2-4,7-10,12-13H2,1H3
InChIKeyALOZYMCCBMNTQK-UHFFFAOYSA-N
XLogP2.61
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599
N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine
CID 66445785
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 66410553) is N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCCn1cccc1CNC1CCN2CCCCC12.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is ALOZYMCCBMNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-9-18-11-5-6-14(18)13-17-15-8-12-19-10-4-3-7-16(15)19/h5-6,11,15-17H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 66410553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).