N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine

C15H22N2 — CID 60697149

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C15H22N2/c1-4-11-16-12-14-7-9-15(10-8-14)13-17(5-2)6-3/h1,7-10,16H,5-6,11-13H2,2-3H3
InChIKeyYUHIPTKMJCWWAT-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.25
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine

N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine (PubChem CID 60697149) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
PubChem CID60697149
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C15H22N2/c1-4-11-16-12-14-7-9-15(10-8-14)13-17(5-2)6-3/h1,7-10,16H,5-6,11-13H2,2-3H3
InChIKeyYUHIPTKMJCWWAT-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine (CID 60697149) is N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine is C#CCNCc1ccc(CN(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine?
The InChIKey is YUHIPTKMJCWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-11-16-12-14-7-9-15(10-8-14)13-17(5-2)6-3/h1,7-10,16H,5-6,11-13H2,2-3H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 60697149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).