2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline

C16H24N2 — CID 70487047

IUPAC2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline
SMILESC=CCc1cccc(CC2CCC(N)CC2)c1N
InChIInChI=1S/C16H24N2/c1-2-4-13-5-3-6-14(16(13)18)11-12-7-9-15(17)10-8-12/h2-3,5-6,12,15H,1,4,7-11,17-18H2
InChIKeyQBOMCGFYUOTROD-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.06
Rot. Bonds4

About 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline

2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline (PubChem CID 70487047) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline
PubChem CID70487047
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline
SMILESC=CCc1cccc(CC2CCC(N)CC2)c1N
InChIInChI=1S/C16H24N2/c1-2-4-13-5-3-6-14(16(13)18)11-12-7-9-15(17)10-8-12/h2-3,5-6,12,15H,1,4,7-11,17-18H2
InChIKeyQBOMCGFYUOTROD-UHFFFAOYSA-N
XLogP3.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline?
The IUPAC name of 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline (CID 70487047) is 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline.
What is the SMILES notation for 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline?
The canonical SMILES for 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline is C=CCc1cccc(CC2CCC(N)CC2)c1N.
What is the InChIKey of 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline?
The InChIKey is QBOMCGFYUOTROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-13-5-3-6-14(16(13)18)11-12-7-9-15(17)10-8-12/h2-3,5-6,12,15H,1,4,7-11,17-18H2.
What are the key properties of 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline?
2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline has a molecular weight of 244.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)methyl]-6-prop-2-enylaniline is sourced from PubChem (CID 70487047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).