ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine

C18H35NO — CID 143366562

IUPACethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine
SMILESC=C.CC1CCC(OC2CCC(C(C)(C)N)CC2)CC1
InChIInChI=1S/C16H31NO.C2H4/c1-12-4-8-14(9-5-12)18-15-10-6-13(7-11-15)16(2,3)17;1-2/h12-15H,4-11,17H2,1-3H3;1-2H2
InChIKeyAHFGIFUDXCHKQW-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.68
Rot. Bonds3

About ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine

ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine (PubChem CID 143366562) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine.

Molecular Properties

Compound Nameethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine
PubChem CID143366562
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine
SMILESC=C.CC1CCC(OC2CCC(C(C)(C)N)CC2)CC1
InChIInChI=1S/C16H31NO.C2H4/c1-12-4-8-14(9-5-12)18-15-10-6-13(7-11-15)16(2,3)17;1-2/h12-15H,4-11,17H2,1-3H3;1-2H2
InChIKeyAHFGIFUDXCHKQW-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine?
The IUPAC name of ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine (CID 143366562) is ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine.
What is the SMILES notation for ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine?
The canonical SMILES for ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine is C=C.CC1CCC(OC2CCC(C(C)(C)N)CC2)CC1.
What is the InChIKey of ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine?
The InChIKey is AHFGIFUDXCHKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.C2H4/c1-12-4-8-14(9-5-12)18-15-10-6-13(7-11-15)16(2,3)17;1-2/h12-15H,4-11,17H2,1-3H3;1-2H2.
What are the key properties of ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine?
ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[4-(4-methylcyclohexyl)oxycyclohexyl]propan-2-amine is sourced from PubChem (CID 143366562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).