N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine

C14H26N4O — CID 104979421

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1noc(C(C)(C)C)n1)C1CCCNCC1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-16-12(17-19-13)10-18(4)11-6-5-8-15-9-7-11/h11,15H,5-10H2,1-4H3
InChIKeyPROBRSALIXYGDD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.94
Rot. Bonds3

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine (PubChem CID 104979421) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
PubChem CID104979421
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1noc(C(C)(C)C)n1)C1CCCNCC1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-16-12(17-19-13)10-18(4)11-6-5-8-15-9-7-11/h11,15H,5-10H2,1-4H3
InChIKeyPROBRSALIXYGDD-UHFFFAOYSA-N
XLogP1.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 43607122
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 63636269

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine (CID 104979421) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine is CN(Cc1noc(C(C)(C)C)n1)C1CCCNCC1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine?
The InChIKey is PROBRSALIXYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)13-16-12(17-19-13)10-18(4)11-6-5-8-15-9-7-11/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 104979421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).