4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine

C14H25N3O — CID 106414159

IUPAC4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCc1noc(CCNC2CCCC(C)(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-11-16-13(18-17-11)7-10-15-12-5-4-8-14(2,3)9-6-12/h12,15H,4-10H2,1-3H3
InChIKeyQDXZVWLJNRDMID-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.87
Rot. Bonds4

About 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine

4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine (PubChem CID 106414159) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
PubChem CID106414159
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCc1noc(CCNC2CCCC(C)(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-11-16-13(18-17-11)7-10-15-12-5-4-8-14(2,3)9-6-12/h12,15H,4-10H2,1-3H3
InChIKeyQDXZVWLJNRDMID-UHFFFAOYSA-N
XLogP2.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
CID 80705304
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine
CID 106417007
trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106414187
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine (CID 106414159) is 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine is Cc1noc(CCNC2CCCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine?
The InChIKey is QDXZVWLJNRDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-16-13(18-17-11)7-10-15-12-5-4-8-14(2,3)9-6-12/h12,15H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine?
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 106414159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).