4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline

C18H31N3 — CID 105418560

IUPAC4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2(N(C)C)CCC2)ccc1CC(C)N
InChIInChI=1S/C18H31N3/c1-14-11-17(8-7-16(14)12-15(2)19)21(5)13-18(20(3)4)9-6-10-18/h7-8,11,15H,6,9-10,12-13,19H2,1-5H3
InChIKeyYVJDEJGOTYXBDK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.81
Rot. Bonds6

About 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline

4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline (PubChem CID 105418560) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
PubChem CID105418560
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2(N(C)C)CCC2)ccc1CC(C)N
InChIInChI=1S/C18H31N3/c1-14-11-17(8-7-16(14)12-15(2)19)21(5)13-18(20(3)4)9-6-10-18/h7-8,11,15H,6,9-10,12-13,19H2,1-5H3
InChIKeyYVJDEJGOTYXBDK-UHFFFAOYSA-N
XLogP2.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline (CID 105418560) is 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline is Cc1cc(N(C)CC2(N(C)C)CCC2)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline?
The InChIKey is YVJDEJGOTYXBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-11-17(8-7-16(14)12-15(2)19)21(5)13-18(20(3)4)9-6-10-18/h7-8,11,15H,6,9-10,12-13,19H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline?
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline has a molecular weight of 289.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 105418560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).