N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine

C14H20N2 — CID 43755382

IUPACN-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H20N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h2,5-8,15H,1,3-4,9-12H2
InChIKeyVJOYHYNLADROPB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.56
Rot. Bonds5

About N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine

N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine (PubChem CID 43755382) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
PubChem CID43755382
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H20N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h2,5-8,15H,1,3-4,9-12H2
InChIKeyVJOYHYNLADROPB-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.56
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
3,3,3-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 63226462
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine (CID 43755382) is N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine is C=CCNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is VJOYHYNLADROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h2,5-8,15H,1,3-4,9-12H2.
What are the key properties of N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine?
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 43755382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).