4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane

C16H33NO — CID 142240822

IUPAC4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane
SMILESCC.CC1(N)CCCC(OC2CCCCC2)CC1
InChIInChI=1S/C14H27NO.C2H6/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12;1-2/h12-13H,2-11,15H2,1H3;1-2H3
InChIKeyDTYLONJBJYFYLQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.41
Rot. Bonds2

About 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane

4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane (PubChem CID 142240822) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane.

Molecular Properties

Compound Name4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane
PubChem CID142240822
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane
SMILESCC.CC1(N)CCCC(OC2CCCCC2)CC1
InChIInChI=1S/C14H27NO.C2H6/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12;1-2/h12-13H,2-11,15H2,1H3;1-2H3
InChIKeyDTYLONJBJYFYLQ-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane?
The IUPAC name of 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane (CID 142240822) is 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane.
What is the SMILES notation for 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane?
The canonical SMILES for 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane is CC.CC1(N)CCCC(OC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane?
The InChIKey is DTYLONJBJYFYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C2H6/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12;1-2/h12-13H,2-11,15H2,1H3;1-2H3.
What are the key properties of 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane?
4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane has a molecular weight of 255.45 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-methylcycloheptan-1-amine;ethane is sourced from PubChem (CID 142240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).