6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane

C13H26N2 — CID 107420452

IUPAC6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
SMILESCC1CNCCN(CC2CCCC2C)C1
InChIInChI=1S/C13H26N2/c1-11-8-14-6-7-15(9-11)10-13-5-3-4-12(13)2/h11-14H,3-10H2,1-2H3
InChIKeyVNWKMUCFQSPOOY-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds2

About 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane

6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane (PubChem CID 107420452) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
PubChem CID107420452
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
SMILESCC1CNCCN(CC2CCCC2C)C1
InChIInChI=1S/C13H26N2/c1-11-8-14-6-7-15(9-11)10-13-5-3-4-12(13)2/h11-14H,3-10H2,1-2H3
InChIKeyVNWKMUCFQSPOOY-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
1-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107420870
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-3-amine
CID 107420790
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
6-methyl-1-prop-2-ynyl-1,4-diazepane
CID 130948165
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
N-cyclopropyl-1-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107420794
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane?
The IUPAC name of 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane (CID 107420452) is 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane?
The canonical SMILES for 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane is CC1CNCCN(CC2CCCC2C)C1.
What is the InChIKey of 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane?
The InChIKey is VNWKMUCFQSPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-8-14-6-7-15(9-11)10-13-5-3-4-12(13)2/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane?
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane has a molecular weight of 210.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane is sourced from PubChem (CID 107420452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).