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

C16H26N2 — CID 782996

IUPAC4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline
SMILESCCCN(Cc1ccc(N(C)C)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-4-11-18(12-14-5-6-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyKQFMXAMPXFPZGH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.37
Rot. Bonds7

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

4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 782996) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline
PubChem CID782996
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline
SMILESCCCN(Cc1ccc(N(C)C)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-4-11-18(12-14-5-6-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyKQFMXAMPXFPZGH-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.37
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-dimethylaniline?
The IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline (CID 782996) is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline is CCCN(Cc1ccc(N(C)C)cc1)CC1CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is KQFMXAMPXFPZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-11-18(12-14-5-6-14)13-15-7-9-16(10-8-15)17(2)3/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline?
4-[[cyclopropylmethyl(propyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.37, 7 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-dimethylaniline is sourced from PubChem (CID 782996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).