[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine

C17H26N2 — CID 79978121

IUPAC[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-10-19-11-9-16(12-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3
InChIKeyWJEGTOOKBLIQHP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.30
Rot. Bonds5

About [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine

[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine (PubChem CID 79978121) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
PubChem CID79978121
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-10-19-11-9-16(12-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3
InChIKeyWJEGTOOKBLIQHP-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
CID 79973047
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 113235018
[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 114239520
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 91647555
[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
CID 66478713
2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
CID 70310452

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine (CID 79978121) is [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine is CCCN1CCC(CN)C1c1ccc(C2CC2)cc1.
What is the InChIKey of [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The InChIKey is WJEGTOOKBLIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-10-19-11-9-16(12-18)17(19)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3.
What are the key properties of [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine?
[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79978121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).