N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine

C15H22N2 — CID 81322117

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1ccccc1CN
InChIInChI=1S/C15H22N2/c1-3-10-17(11-4-2)12-9-14-7-5-6-8-15(14)13-16/h3-8H,1-2,9-13,16H2
InChIKeyKQZXTMNEEGZDNH-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.36
Rot. Bonds8

About N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 81322117) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID81322117
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1ccccc1CN
InChIInChI=1S/C15H22N2/c1-3-10-17(11-4-2)12-9-14-7-5-6-8-15(14)13-16/h3-8H,1-2,9-13,16H2
InChIKeyKQZXTMNEEGZDNH-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 81322117) is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCc1ccccc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is KQZXTMNEEGZDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-10-17(11-4-2)12-9-14-7-5-6-8-15(14)13-16/h3-8H,1-2,9-13,16H2.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 81322117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).