4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline

C16H26N2 — CID 107402420

IUPAC4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(CC1CCC1)c1ccc(CCN)cc1C
InChIInChI=1S/C16H26N2/c1-3-18(12-15-5-4-6-15)16-8-7-14(9-10-17)11-13(16)2/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3
InChIKeyWPLUNLGLZUNHFT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds6

About 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline

4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline (PubChem CID 107402420) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
PubChem CID107402420
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(CC1CCC1)c1ccc(CCN)cc1C
InChIInChI=1S/C16H26N2/c1-3-18(12-15-5-4-6-15)16-8-7-14(9-10-17)11-13(16)2/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3
InChIKeyWPLUNLGLZUNHFT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864950
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217
4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62125297
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline (CID 107402420) is 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline is CCN(CC1CCC1)c1ccc(CCN)cc1C.
What is the InChIKey of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline?
The InChIKey is WPLUNLGLZUNHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(12-15-5-4-6-15)16-8-7-14(9-10-17)11-13(16)2/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline?
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline is sourced from PubChem (CID 107402420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).