4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine

C17H28N2 — CID 54913869

IUPAC4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15(2)6-5-11-18-14-16-7-9-17(10-8-16)19-12-3-4-13-19/h7-10,15,18H,3-6,11-14H2,1-2H3
InChIKeyWDMJIEUNFBGWKL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds7

About 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine

4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine (PubChem CID 54913869) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
PubChem CID54913869
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15(2)6-5-11-18-14-16-7-9-17(10-8-16)19-12-3-4-13-19/h7-10,15,18H,3-6,11-14H2,1-2H3
InChIKeyWDMJIEUNFBGWKL-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
2-[2-(4-methylpentoxy)ethoxy]-N-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 155739576
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
1-methoxy-4-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 103876281
3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
2-methylsulfinyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 115632651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine (CID 54913869) is 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine is CC(C)CCCNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine?
The InChIKey is WDMJIEUNFBGWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(2)6-5-11-18-14-16-7-9-17(10-8-16)19-12-3-4-13-19/h7-10,15,18H,3-6,11-14H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine?
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 54913869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).