2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline

C16H26N2 — CID 63793613

IUPAC2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
SMILESCCC(N)Cc1ccccc1N(C)CC1CCC1
InChIInChI=1S/C16H26N2/c1-3-15(17)11-14-9-4-5-10-16(14)18(2)12-13-7-6-8-13/h4-5,9-10,13,15H,3,6-8,11-12,17H2,1-2H3
InChIKeyWIPMNIIWBOPFDG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds6

About 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline

2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline (PubChem CID 63793613) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
PubChem CID63793613
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
SMILESCCC(N)Cc1ccccc1N(C)CC1CCC1
InChIInChI=1S/C16H26N2/c1-3-15(17)11-14-9-4-5-10-16(14)18(2)12-13-7-6-8-13/h4-5,9-10,13,15H,3,6-8,11-12,17H2,1-2H3
InChIKeyWIPMNIIWBOPFDG-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861576
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
CID 60984636
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline (CID 63793613) is 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline is CCC(N)Cc1ccccc1N(C)CC1CCC1.
What is the InChIKey of 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline?
The InChIKey is WIPMNIIWBOPFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-15(17)11-14-9-4-5-10-16(14)18(2)12-13-7-6-8-13/h4-5,9-10,13,15H,3,6-8,11-12,17H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline?
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline is sourced from PubChem (CID 63793613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).