1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine

C16H29N3 — CID 66397545

IUPAC1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
SMILESCCCN1CCC(NCc2ccn(CCC)c2)CC1
InChIInChI=1S/C16H29N3/c1-3-8-18-11-6-16(7-12-18)17-13-15-5-10-19(14-15)9-4-2/h5,10,14,16-17H,3-4,6-9,11-13H2,1-2H3
InChIKeyZBRYGASMPKHFRK-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.86
Rot. Bonds7

About 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine

1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine (PubChem CID 66397545) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
PubChem CID66397545
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
SMILESCCCN1CCC(NCc2ccn(CCC)c2)CC1
InChIInChI=1S/C16H29N3/c1-3-8-18-11-6-16(7-12-18)17-13-15-5-10-19(14-15)9-4-2/h5,10,14,16-17H,3-4,6-9,11-13H2,1-2H3
InChIKeyZBRYGASMPKHFRK-UHFFFAOYSA-N
XLogP2.86
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103527697
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 66414407
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1,1-dioxo-N-[(1-propylpyrrol-3-yl)methyl]thian-3-amine
CID 66414415
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 103527273
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
CID 103603286
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
CID 66406178

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine (CID 66397545) is 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine is CCCN1CCC(NCc2ccn(CCC)c2)CC1.
What is the InChIKey of 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine?
The InChIKey is ZBRYGASMPKHFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-8-18-11-6-16(7-12-18)17-13-15-5-10-19(14-15)9-4-2/h5,10,14,16-17H,3-4,6-9,11-13H2,1-2H3.
What are the key properties of 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine?
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 66397545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).