N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine

C17H22N2 — CID 66406178

IUPACN-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCn2ccc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-4-11-19-12-10-16(14-19)13-18-17-8-9-17/h1-3,5-6,10,12,14,17-18H,4,7-9,11,13H2
InChIKeyDSRDOYJFRXHEKO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.37
Rot. Bonds7

About N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 66406178) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID66406178
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCn2ccc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-4-11-19-12-10-16(14-19)13-18-17-8-9-17/h1-3,5-6,10,12,14,17-18H,4,7-9,11,13H2
InChIKeyDSRDOYJFRXHEKO-UHFFFAOYSA-N
XLogP3.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405167
N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103527697
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 82920458
N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
CID 79098439
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine (CID 66406178) is N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine is c1ccc(CCCn2ccc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is DSRDOYJFRXHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-4-11-19-12-10-16(14-19)13-18-17-8-9-17/h1-3,5-6,10,12,14,17-18H,4,7-9,11,13H2.
What are the key properties of N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 254.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66406178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).