4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline

C17H30N2 — CID 63785303

IUPAC4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
SMILESCCC(N)Cc1ccc(N(CC)C(C)CC)c(C)c1
InChIInChI=1S/C17H30N2/c1-6-14(5)19(8-3)17-10-9-15(11-13(17)4)12-16(18)7-2/h9-11,14,16H,6-8,12,18H2,1-5H3
InChIKeyPZQPRTMOUQKBNK-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.90
Rot. Bonds7

About 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline

4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline (PubChem CID 63785303) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
PubChem CID63785303
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
SMILESCCC(N)Cc1ccc(N(CC)C(C)CC)c(C)c1
InChIInChI=1S/C17H30N2/c1-6-14(5)19(8-3)17-10-9-15(11-13(17)4)12-16(18)7-2/h9-11,14,16H,6-8,12,18H2,1-5H3
InChIKeyPZQPRTMOUQKBNK-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 63816309
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline (CID 63785303) is 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline is CCC(N)Cc1ccc(N(CC)C(C)CC)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
The InChIKey is PZQPRTMOUQKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(5)19(8-3)17-10-9-15(11-13(17)4)12-16(18)7-2/h9-11,14,16H,6-8,12,18H2,1-5H3.
What are the key properties of 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline?
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline is sourced from PubChem (CID 63785303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).