N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine

C12H21N3O — CID 133436111

IUPACN-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESC=CCCCC(C)Nc1nc(C(C)C)no1
InChIInChI=1S/C12H21N3O/c1-5-6-7-8-10(4)13-12-14-11(9(2)3)15-16-12/h5,9-10H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyYOASDCZTYJAJDO-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.35
Rot. Bonds7

About N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine

N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 133436111) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID133436111
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESC=CCCCC(C)Nc1nc(C(C)C)no1
InChIInChI=1S/C12H21N3O/c1-5-6-7-8-10(4)13-12-14-11(9(2)3)15-16-12/h5,9-10H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyYOASDCZTYJAJDO-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
N-methyloct-7-en-2-amine
CID 64502847
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
CID 133436130
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133346270
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133351246
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 109483863
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hept-6-en-2-amine
CID 22466195
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175

Frequently Asked Questions

What is the IUPAC name of N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 133436111) is N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine is C=CCCCC(C)Nc1nc(C(C)C)no1.
What is the InChIKey of N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is YOASDCZTYJAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-7-8-10(4)13-12-14-11(9(2)3)15-16-12/h5,9-10H,1,6-8H2,2-4H3,(H,13,14,15).
What are the key properties of N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133436111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).