N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

C19H32N2 — CID 105348275

IUPACN-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2CCC(CCC)C2)cc1
InChIInChI=1S/C19H32N2/c1-3-5-18-11-14-21(15-18)16-19-8-6-17(7-9-19)10-13-20-12-4-2/h6-9,18,20H,3-5,10-16H2,1-2H3
InChIKeyZCMIWQCKKLYFCZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105348275) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
PubChem CID105348275
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2CCC(CCC)C2)cc1
InChIInChI=1S/C19H32N2/c1-3-5-18-11-14-21(15-18)16-19-8-6-17(7-9-19)10-13-20-12-4-2/h6-9,18,20H,3-5,10-16H2,1-2H3
InChIKeyZCMIWQCKKLYFCZ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (CID 105348275) is N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(CN2CCC(CCC)C2)cc1.
What is the InChIKey of N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is ZCMIWQCKKLYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-5-18-11-14-21(15-18)16-19-8-6-17(7-9-19)10-13-20-12-4-2/h6-9,18,20H,3-5,10-16H2,1-2H3.
What are the key properties of N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105348275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).