4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol

C17H34N2O — CID 62610754

IUPAC4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol
SMILESCN1CCCN(CC2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)15-6-7-16(20)14(12-15)13-19-9-5-8-18(4)10-11-19/h14-16,20H,5-13H2,1-4H3
InChIKeyJCCKZRGUURSODB-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.45
Rot. Bonds2

About 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol

4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol (PubChem CID 62610754) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol
PubChem CID62610754
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol
SMILESCN1CCCN(CC2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)15-6-7-16(20)14(12-15)13-19-9-5-8-18(4)10-11-19/h14-16,20H,5-13H2,1-4H3
InChIKeyJCCKZRGUURSODB-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol (CID 62610754) is 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol is CN1CCCN(CC2CC(C(C)(C)C)CCC2O)CC1.
What is the InChIKey of 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is JCCKZRGUURSODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-17(2,3)15-6-7-16(20)14(12-15)13-19-9-5-8-18(4)10-11-19/h14-16,20H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol?
4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).