N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline

C16H26N2 — CID 62122570

IUPACN-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNC)cc1C
InChIInChI=1S/C16H26N2/c1-4-9-18(12-14-5-6-14)16-8-7-15(11-17-3)10-13(16)2/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyYXZDVLUVEJGQLX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds7

About N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline

N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline (PubChem CID 62122570) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline
PubChem CID62122570
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNC)cc1C
InChIInChI=1S/C16H26N2/c1-4-9-18(12-14-5-6-14)16-8-7-15(11-17-3)10-13(16)2/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyYXZDVLUVEJGQLX-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline (CID 62122570) is N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline is CCCN(CC1CC1)c1ccc(CNC)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline?
The InChIKey is YXZDVLUVEJGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-9-18(12-14-5-6-14)16-8-7-15(11-17-3)10-13(16)2/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline?
N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline is sourced from PubChem (CID 62122570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).