4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline

C16H27N3 — CID 105413529

IUPAC4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
SMILESCN(CCc1ccc(N)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H27N3/c1-18(2)16(10-4-11-16)13-19(3)12-9-14-5-7-15(17)8-6-14/h5-8H,4,9-13,17H2,1-3H3
InChIKeyUNVDEJCRCSAICP-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline

4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline (PubChem CID 105413529) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
PubChem CID105413529
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
SMILESCN(CCc1ccc(N)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H27N3/c1-18(2)16(10-4-11-16)13-19(3)12-9-14-5-7-15(17)8-6-14/h5-8H,4,9-13,17H2,1-3H3
InChIKeyUNVDEJCRCSAICP-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105421348
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
CID 43267271
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115244371
1-[[methyl(2-phenylethyl)amino]methyl]cyclopropan-1-amine
CID 65487507
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The IUPAC name of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline (CID 105413529) is 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline.
What is the SMILES notation for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The canonical SMILES for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline is CN(CCc1ccc(N)cc1)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The InChIKey is UNVDEJCRCSAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)16(10-4-11-16)13-19(3)12-9-14-5-7-15(17)8-6-14/h5-8H,4,9-13,17H2,1-3H3.
What are the key properties of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline is sourced from PubChem (CID 105413529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).