1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine

C20H32N2O — CID 78871247

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1ccc(CNCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C20H32N2O/c1-2-3-4-13-23-20-9-5-17(6-10-20)14-21-15-18-11-12-22(16-18)19-7-8-19/h5-6,9-10,18-19,21H,2-4,7-8,11-16H2,1H3
InChIKeyJHAMMURWWLKQKB-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.83
Rot. Bonds10

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine (PubChem CID 78871247) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine
PubChem CID78871247
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1ccc(CNCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C20H32N2O/c1-2-3-4-13-23-20-9-5-17(6-10-20)14-21-15-18-11-12-22(16-18)19-7-8-19/h5-6,9-10,18-19,21H,2-4,7-8,11-16H2,1H3
InChIKeyJHAMMURWWLKQKB-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126965
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
N-[(4-pentoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295288
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine (CID 78871247) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine is CCCCCOc1ccc(CNCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine?
The InChIKey is JHAMMURWWLKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-3-4-13-23-20-9-5-17(6-10-20)14-21-15-18-11-12-22(16-18)19-7-8-19/h5-6,9-10,18-19,21H,2-4,7-8,11-16H2,1H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine has a molecular weight of 316.49 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine is sourced from PubChem (CID 78871247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).