N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine

C16H29N3O — CID 106394531

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
SMILESc1noc(CCNC2CCCCCCCCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-2-4-6-8-10-15(11-9-7-5-3-1)17-13-12-16-18-14-19-20-16/h14-15,17H,1-13H2
InChIKeyKSLHPXVLSMMPEY-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine (PubChem CID 106394531) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
PubChem CID106394531
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
SMILESc1noc(CCNC2CCCCCCCCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-2-4-6-8-10-15(11-9-7-5-3-1)17-13-12-16-18-14-19-20-16/h14-15,17H,1-13H2
InChIKeyKSLHPXVLSMMPEY-UHFFFAOYSA-N
XLogP3.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
CID 106394778
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 106400144
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106399719
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
2-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114183262
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106394773
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106395267
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106408371
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743959
N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
CID 82467812

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine (CID 106394531) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine is c1noc(CCNC2CCCCCCCCCCC2)n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine?
The InChIKey is KSLHPXVLSMMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-4-6-8-10-15(11-9-7-5-3-1)17-13-12-16-18-14-19-20-16/h14-15,17H,1-13H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine has a molecular weight of 279.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine is sourced from PubChem (CID 106394531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).