1-methyl-4-(4-methylphenyl)-1,4-diazocane

C14H22N2 — CID 143370715

IUPAC1-methyl-4-(4-methylphenyl)-1,4-diazocane
SMILESCc1ccc(N2CCCCN(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-13-5-7-14(8-6-13)16-10-4-3-9-15(2)11-12-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyAKMWCFCFVVCRSN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.53
Rot. Bonds1

About 1-methyl-4-(4-methylphenyl)-1,4-diazocane

1-methyl-4-(4-methylphenyl)-1,4-diazocane (PubChem CID 143370715) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-1,4-diazocane.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-1,4-diazocane
PubChem CID143370715
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-methyl-4-(4-methylphenyl)-1,4-diazocane
SMILESCc1ccc(N2CCCCN(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-13-5-7-14(8-6-13)16-10-4-3-9-15(2)11-12-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyAKMWCFCFVVCRSN-UHFFFAOYSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
CID 177158844
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167698889
1,4-dimethylcyclohexane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167566334
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrate;hydrochloride
CID 18525908
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-1,4-diazocane?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-1,4-diazocane (CID 143370715) is 1-methyl-4-(4-methylphenyl)-1,4-diazocane.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-1,4-diazocane?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-1,4-diazocane is Cc1ccc(N2CCCCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-1,4-diazocane?
The InChIKey is AKMWCFCFVVCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13-5-7-14(8-6-13)16-10-4-3-9-15(2)11-12-16/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)-1,4-diazocane?
1-methyl-4-(4-methylphenyl)-1,4-diazocane has a molecular weight of 218.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-1,4-diazocane is sourced from PubChem (CID 143370715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).