ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine

C17H37NO — CID 170734557

IUPACethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine
SMILESCC.CC.CC1CCC(OC2CCC(N)CC2)CC1
InChIInChI=1S/C13H25NO.2C2H6/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;2*1-2/h10-13H,2-9,14H2,1H3;2*1-2H3
InChIKeyRUMHBRMTWGVIJE-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.90
Rot. Bonds2

About ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine

ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine (PubChem CID 170734557) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine
PubChem CID170734557
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Nameethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine
SMILESCC.CC.CC1CCC(OC2CCC(N)CC2)CC1
InChIInChI=1S/C13H25NO.2C2H6/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;2*1-2/h10-13H,2-9,14H2,1H3;2*1-2H3
InChIKeyRUMHBRMTWGVIJE-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine?
The IUPAC name of ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine (CID 170734557) is ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine.
What is the SMILES notation for ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine?
The canonical SMILES for ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine is CC.CC.CC1CCC(OC2CCC(N)CC2)CC1.
What is the InChIKey of ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine?
The InChIKey is RUMHBRMTWGVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.2C2H6/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;2*1-2/h10-13H,2-9,14H2,1H3;2*1-2H3.
What are the key properties of ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine?
ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine is sourced from PubChem (CID 170734557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).