2-(4-methylcyclohexyl)-2-propan-2-ylazepane

C16H31N — CID 79118380

IUPAC2-(4-methylcyclohexyl)-2-propan-2-ylazepane
SMILESCC1CCC(C2(C(C)C)CCCCCN2)CC1
InChIInChI=1S/C16H31N/c1-13(2)16(11-5-4-6-12-17-16)15-9-7-14(3)8-10-15/h13-15,17H,4-12H2,1-3H3
InChIKeyYUTGOGFEUGASMD-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds2

About 2-(4-methylcyclohexyl)-2-propan-2-ylazepane

2-(4-methylcyclohexyl)-2-propan-2-ylazepane (PubChem CID 79118380) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-2-propan-2-ylazepane
PubChem CID79118380
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(4-methylcyclohexyl)-2-propan-2-ylazepane
SMILESCC1CCC(C2(C(C)C)CCCCCN2)CC1
InChIInChI=1S/C16H31N/c1-13(2)16(11-5-4-6-12-17-16)15-9-7-14(3)8-10-15/h13-15,17H,4-12H2,1-3H3
InChIKeyYUTGOGFEUGASMD-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11971759
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CID 300307
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CID 23033078
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CID 92208703
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CID 92208704
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-2-propan-2-ylazepane?
The IUPAC name of 2-(4-methylcyclohexyl)-2-propan-2-ylazepane (CID 79118380) is 2-(4-methylcyclohexyl)-2-propan-2-ylazepane.
What is the SMILES notation for 2-(4-methylcyclohexyl)-2-propan-2-ylazepane?
The canonical SMILES for 2-(4-methylcyclohexyl)-2-propan-2-ylazepane is CC1CCC(C2(C(C)C)CCCCCN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-2-propan-2-ylazepane?
The InChIKey is YUTGOGFEUGASMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13(2)16(11-5-4-6-12-17-16)15-9-7-14(3)8-10-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)-2-propan-2-ylazepane?
2-(4-methylcyclohexyl)-2-propan-2-ylazepane has a molecular weight of 237.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-2-propan-2-ylazepane is sourced from PubChem (CID 79118380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).