N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 106960948

IUPACN-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCC2CCC(C)CC2)o1
InChIInChI=1S/C14H26N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h11-12,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyRBKDCLTYLHPRRB-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.81
Rot. Bonds7

About N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960948) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960948
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCC2CCC(C)CC2)o1
InChIInChI=1S/C14H26N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h11-12,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyRBKDCLTYLHPRRB-UHFFFAOYSA-N
XLogP2.81
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
5-(ethylaminomethyl)-N-[(3-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114131448
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960948) is N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCC2CCC(C)CC2)o1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RBKDCLTYLHPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-8-15-10-13-17-18-14(19-13)16-9-12-6-4-11(2)5-7-12/h11-12,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).