2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine

C19H32N2 — CID 105348147

IUPAC2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
SMILESC=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C
InChIInChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3
InChIKeyUFDYARPUAVYTQI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.19
Rot. Bonds10

About 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine

2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine (PubChem CID 105348147) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
PubChem CID105348147
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
SMILESC=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C
InChIInChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3
InChIKeyUFDYARPUAVYTQI-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine (CID 105348147) is 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine is C=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C.
What is the InChIKey of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The InChIKey is UFDYARPUAVYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3.
What are the key properties of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105348147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).