1-(4-tert-butylcyclohexen-1-yl)azepane

C16H29N — CID 15686733

IUPAC1-(4-tert-butylcyclohexen-1-yl)azepane
SMILESCC(C)(C)C1CC=C(N2CCCCCC2)CC1
InChIInChI=1S/C16H29N/c1-16(2,3)14-8-10-15(11-9-14)17-12-6-4-5-7-13-17/h10,14H,4-9,11-13H2,1-3H3
InChIKeyWJWNQCCWOOSZQB-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.59
Rot. Bonds1

About 1-(4-tert-butylcyclohexen-1-yl)azepane

1-(4-tert-butylcyclohexen-1-yl)azepane (PubChem CID 15686733) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexen-1-yl)azepane.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexen-1-yl)azepane
PubChem CID15686733
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(4-tert-butylcyclohexen-1-yl)azepane
SMILESCC(C)(C)C1CC=C(N2CCCCCC2)CC1
InChIInChI=1S/C16H29N/c1-16(2,3)14-8-10-15(11-9-14)17-12-6-4-5-7-13-17/h10,14H,4-9,11-13H2,1-3H3
InChIKeyWJWNQCCWOOSZQB-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexen-1-yl)azepane?
The IUPAC name of 1-(4-tert-butylcyclohexen-1-yl)azepane (CID 15686733) is 1-(4-tert-butylcyclohexen-1-yl)azepane.
What is the SMILES notation for 1-(4-tert-butylcyclohexen-1-yl)azepane?
The canonical SMILES for 1-(4-tert-butylcyclohexen-1-yl)azepane is CC(C)(C)C1CC=C(N2CCCCCC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexen-1-yl)azepane?
The InChIKey is WJWNQCCWOOSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-16(2,3)14-8-10-15(11-9-14)17-12-6-4-5-7-13-17/h10,14H,4-9,11-13H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexen-1-yl)azepane?
1-(4-tert-butylcyclohexen-1-yl)azepane has a molecular weight of 235.41 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexen-1-yl)azepane is sourced from PubChem (CID 15686733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).