2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline

C16H26N2 — CID 62265361

IUPAC2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
SMILESCCCC(C)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H26N2/c1-3-6-13(2)11-18(15-9-10-15)12-14-7-4-5-8-16(14)17/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3
InChIKeyMJDVAYYVIXOXDR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds7

About 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline

2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline (PubChem CID 62265361) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
PubChem CID62265361
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
SMILESCCCC(C)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H26N2/c1-3-6-13(2)11-18(15-9-10-15)12-14-7-4-5-8-16(14)17/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3
InChIKeyMJDVAYYVIXOXDR-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline (CID 62265361) is 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline is CCCC(C)CN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline?
The InChIKey is MJDVAYYVIXOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-6-13(2)11-18(15-9-10-15)12-14-7-4-5-8-16(14)17/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline?
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline is sourced from PubChem (CID 62265361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).