1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine

C15H28N4O — CID 79111307

IUPAC1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2nc(CC(C)C)no2)CC1
InChIInChI=1S/C15H28N4O/c1-11(2)9-14-17-15(20-18-14)10-19(4)13-7-5-12(16-3)6-8-13/h11-13,16H,5-10H2,1-4H3
InChIKeyZQRKPMUVBMFPKV-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds6

About 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine (PubChem CID 79111307) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine
PubChem CID79111307
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2nc(CC(C)C)no2)CC1
InChIInChI=1S/C15H28N4O/c1-11(2)9-14-17-15(20-18-14)10-19(4)13-7-5-12(16-3)6-8-13/h11-13,16H,5-10H2,1-4H3
InChIKeyZQRKPMUVBMFPKV-UHFFFAOYSA-N
XLogP2.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928
4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117316
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
1-(3-fluorophenyl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 86920071
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 43607122
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131919991

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine (CID 79111307) is 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2nc(CC(C)C)no2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The InChIKey is ZQRKPMUVBMFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)9-14-17-15(20-18-14)10-19(4)13-7-5-12(16-3)6-8-13/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79111307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).