4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline

C16H26N2 — CID 63794504

IUPAC4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2CCC2)ccc1CC(C)N
InChIInChI=1S/C16H26N2/c1-12-9-16(8-7-15(12)10-13(2)17)18(3)11-14-5-4-6-14/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyJFWUGXFRMAVSLZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds5

About 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline

4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline (PubChem CID 63794504) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
PubChem CID63794504
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)CC2CCC2)ccc1CC(C)N
InChIInChI=1S/C16H26N2/c1-12-9-16(8-7-15(12)10-13(2)17)18(3)11-14-5-4-6-14/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyJFWUGXFRMAVSLZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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-(cyclobutylmethyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline (CID 63794504) is 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline is Cc1cc(N(C)CC2CCC2)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline?
The InChIKey is JFWUGXFRMAVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-16(8-7-15(12)10-13(2)17)18(3)11-14-5-4-6-14/h7-9,13-14H,4-6,10-11,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline?
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline is sourced from PubChem (CID 63794504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).