4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline

C15H22N2 — CID 112557995

IUPAC4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline
SMILESCCN(CC1(c2ccc(N)cc2)CC1)C1CC1
InChIInChI=1S/C15H22N2/c1-2-17(14-7-8-14)11-15(9-10-15)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3
InChIKeyAHIQQDUPMOVMAV-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.78
Rot. Bonds5

About 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline

4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline (PubChem CID 112557995) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline
PubChem CID112557995
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline
SMILESCCN(CC1(c2ccc(N)cc2)CC1)C1CC1
InChIInChI=1S/C15H22N2/c1-2-17(14-7-8-14)11-15(9-10-15)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3
InChIKeyAHIQQDUPMOVMAV-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.78
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 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline (CID 112557995) is 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline is CCN(CC1(c2ccc(N)cc2)CC1)C1CC1.
What is the InChIKey of 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline?
The InChIKey is AHIQQDUPMOVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-17(14-7-8-14)11-15(9-10-15)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3.
What are the key properties of 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline?
4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline has a molecular weight of 230.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[cyclopropyl(ethyl)amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 112557995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).