N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline

C14H22N2 — CID 115213894

IUPACN-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
SMILESCc1ccc(N(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C14H22N2/c1-10-4-5-14(6-11(10)2)16(3)9-12-7-13(15)8-12/h4-6,12-13H,7-9,15H2,1-3H3
InChIKeyPIMDXUVIXKBOLF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.48
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline

N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline (PubChem CID 115213894) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
PubChem CID115213894
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
SMILESCc1ccc(N(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C14H22N2/c1-10-4-5-14(6-11(10)2)16(3)9-12-7-13(15)8-12/h4-6,12-13H,7-9,15H2,1-3H3
InChIKeyPIMDXUVIXKBOLF-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
CID 115213609
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
CID 115256470
4-(chloromethyl)-N-(cyclopropylmethyl)-N,3-dimethylaniline
CID 62129636
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline (CID 115213894) is N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline is Cc1ccc(N(C)CC2CC(N)C2)cc1C.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline?
The InChIKey is PIMDXUVIXKBOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-4-5-14(6-11(10)2)16(3)9-12-7-13(15)8-12/h4-6,12-13H,7-9,15H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline?
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.48, 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]-N,3,4-trimethylaniline is sourced from PubChem (CID 115213894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).