1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane

C15H30N2 — CID 64950737

IUPAC1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(C2(C)CCCCC2)CCCN1
InChIInChI=1S/C15H30N2/c1-13(2)14-12-17(11-7-10-16-14)15(3)8-5-4-6-9-15/h13-14,16H,4-12H2,1-3H3
InChIKeyHYWLSOXBXAZQMH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds2

About 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane

1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 64950737) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
PubChem CID64950737
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(C2(C)CCCCC2)CCCN1
InChIInChI=1S/C15H30N2/c1-13(2)14-12-17(11-7-10-16-14)15(3)8-5-4-6-9-15/h13-14,16H,4-12H2,1-3H3
InChIKeyHYWLSOXBXAZQMH-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64950047
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine
CID 64953652
8a-methyl-2-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 176937672
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822
1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
CID 106329785
6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686823
2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82242605
1-(1-adamantyl)-3-butan-2-yl-1,4-diazepane
CID 64941686
(2R)-2-propan-2-ylazepane
CID 7048221

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane (CID 64950737) is 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(C2(C)CCCCC2)CCCN1.
What is the InChIKey of 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is HYWLSOXBXAZQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)14-12-17(11-7-10-16-14)15(3)8-5-4-6-9-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane?
1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).