4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline

C18H30N2 — CID 783342

IUPAC4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline
SMILESCCCN(Cc1ccc(N(CC)CC)cc1)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-13-19(14-16-7-8-16)15-17-9-11-18(12-10-17)20(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3
InChIKeyWEVDWQPCAHFKGF-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.15
Rot. Bonds9

About 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline

4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline (PubChem CID 783342) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline
PubChem CID783342
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline
SMILESCCCN(Cc1ccc(N(CC)CC)cc1)CC1CC1
InChIInChI=1S/C18H30N2/c1-4-13-19(14-16-7-8-16)15-17-9-11-18(12-10-17)20(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3
InChIKeyWEVDWQPCAHFKGF-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline (CID 783342) is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline is CCCN(Cc1ccc(N(CC)CC)cc1)CC1CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline?
The InChIKey is WEVDWQPCAHFKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-13-19(14-16-7-8-16)15-17-9-11-18(12-10-17)20(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3.
What are the key properties of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline?
4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 783342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).