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

C14H28N2 — CID 64951574

IUPAC3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
SMILESCC1CCC(CN2CCCNC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12-4-6-14(7-5-12)11-16-9-3-8-15-13(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyBOJKIZULDPQJPV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds2

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

3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane (PubChem CID 64951574) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
PubChem CID64951574
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
SMILESCC1CCC(CN2CCCNC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12-4-6-14(7-5-12)11-16-9-3-8-15-13(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyBOJKIZULDPQJPV-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243515
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
CID 115102113
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
3-butan-2-yl-1-[(4-methylcyclohexyl)methyl]piperazine
CID 64954197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane?
The IUPAC name of 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane (CID 64951574) is 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane?
The canonical SMILES for 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane is CC1CCC(CN2CCCNC(C)C2)CC1.
What is the InChIKey of 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane?
The InChIKey is BOJKIZULDPQJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-4-6-14(7-5-12)11-16-9-3-8-15-13(2)10-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane?
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane is sourced from PubChem (CID 64951574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).