3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane

C16H30N2 — CID 64944041

IUPAC3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
SMILESCC1CCCCC1CN1CCCNC(C2CC2)C1
InChIInChI=1S/C16H30N2/c1-13-5-2-3-6-15(13)11-18-10-4-9-17-16(12-18)14-7-8-14/h13-17H,2-12H2,1H3
InChIKeyYDUBHIPTSLVJBT-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds3

About 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane

3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane (PubChem CID 64944041) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
PubChem CID64944041
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
SMILESCC1CCCCC1CN1CCCNC(C2CC2)C1
InChIInChI=1S/C16H30N2/c1-13-5-2-3-6-15(13)11-18-10-4-9-17-16(12-18)14-7-8-14/h13-17H,2-12H2,1H3
InChIKeyYDUBHIPTSLVJBT-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 131182942
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
CID 114201405
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
CID 64951588
3-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550399
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
1-[(2-methylcyclohexyl)methyl]-2-piperidin-2-ylpiperidine
CID 163172242
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane (CID 64944041) is 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane is CC1CCCCC1CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane?
The InChIKey is YDUBHIPTSLVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-5-2-3-6-15(13)11-18-10-4-9-17-16(12-18)14-7-8-14/h13-17H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane?
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane has a molecular weight of 250.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane is sourced from PubChem (CID 64944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).