4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline

C17H28N2 — CID 63794503

IUPAC4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-4-16(18)11-15-8-9-17(13(2)10-15)19(3)12-14-6-5-7-14/h8-10,14,16H,4-7,11-12,18H2,1-3H3
InChIKeyZZPGCSAQTCCJMM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds6

About 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline

4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline (PubChem CID 63794503) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
PubChem CID63794503
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-4-16(18)11-15-8-9-17(13(2)10-15)19(3)12-14-6-5-7-14/h8-10,14,16H,4-7,11-12,18H2,1-3H3
InChIKeyZZPGCSAQTCCJMM-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline (CID 63794503) is 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline is CCC(N)Cc1ccc(N(C)CC2CCC2)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline?
The InChIKey is ZZPGCSAQTCCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16(18)11-15-8-9-17(13(2)10-15)19(3)12-14-6-5-7-14/h8-10,14,16H,4-7,11-12,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline?
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline is sourced from PubChem (CID 63794503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).