N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline

C16H26N2 — CID 115213893

IUPACN-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
SMILESCN(CC1CC(N)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)13-5-7-15(8-6-13)18(4)11-12-9-14(17)10-12/h5-8,12,14H,9-11,17H2,1-4H3
InChIKeyOQNNWEOCCQJVPQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.16
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline

N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline (PubChem CID 115213893) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
PubChem CID115213893
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
SMILESCN(CC1CC(N)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)13-5-7-15(8-6-13)18(4)11-12-9-14(17)10-12/h5-8,12,14H,9-11,17H2,1-4H3
InChIKeyOQNNWEOCCQJVPQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
N-[(3-aminocyclopentyl)methyl]-N-methylaniline
CID 66008204
4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline (CID 115213893) is N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline is CN(CC1CC(N)C1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline?
The InChIKey is OQNNWEOCCQJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)13-5-7-15(8-6-13)18(4)11-12-9-14(17)10-12/h5-8,12,14H,9-11,17H2,1-4H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline?
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline is sourced from PubChem (CID 115213893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).