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

C16H30N4O — CID 79117316

IUPAC4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1nc(CC(C)C)no1)C1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-4-9-20(14-7-5-13(17)6-8-14)11-16-18-15(19-21-16)10-12(2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyOOECFTQNWINBIW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.75
Rot. Bonds7

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

4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79117316) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79117316
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1nc(CC(C)C)no1)C1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-4-9-20(14-7-5-13(17)6-8-14)11-16-18-15(19-21-16)10-12(2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyOOECFTQNWINBIW-UHFFFAOYSA-N
XLogP2.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117293
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 79111307
N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 60504443
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 102848575
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
CID 66214893
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037

Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine (CID 79117316) is 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1nc(CC(C)C)no1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is OOECFTQNWINBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-9-20(14-7-5-13(17)6-8-14)11-16-18-15(19-21-16)10-12(2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79117316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).