4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline

C17H30N2 — CID 63786915

IUPAC4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C17H30N2/c1-5-10-19(11-6-2)17-9-8-15(14(4)12-17)13-16(18)7-3/h8-9,12,16H,5-7,10-11,13,18H2,1-4H3
InChIKeyJETFHUMGVZRPEF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.90
Rot. Bonds8

About 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline

4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline (PubChem CID 63786915) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
PubChem CID63786915
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C17H30N2/c1-5-10-19(11-6-2)17-9-8-15(14(4)12-17)13-16(18)7-3/h8-9,12,16H,5-7,10-11,13,18H2,1-4H3
InChIKeyJETFHUMGVZRPEF-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline?
The IUPAC name of 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline (CID 63786915) is 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline?
The canonical SMILES for 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline is CCCN(CCC)c1ccc(CC(N)CC)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline?
The InChIKey is JETFHUMGVZRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-10-19(11-6-2)17-9-8-15(14(4)12-17)13-16(18)7-3/h8-9,12,16H,5-7,10-11,13,18H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline?
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline is sourced from PubChem (CID 63786915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).