3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide

C11H23N3O — CID 62974857

IUPAC3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCOC(C)C1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13)14-5-4-6-15-9(2)8-14/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyGUSRDVHEJOUSGP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds4

About 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide

3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (PubChem CID 62974857) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.

Molecular Properties

Compound Name3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
PubChem CID62974857
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCOC(C)C1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13)14-5-4-6-15-9(2)8-14/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyGUSRDVHEJOUSGP-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
CID 63170287
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(4-propylpiperazin-1-yl)pentanimidamide
CID 43368022
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
4-(2-methylmorpholin-4-yl)butanimidamide
CID 24700284

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (CID 62974857) is 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.
What is the SMILES notation for 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The canonical SMILES for 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCCOC(C)C1.
What is the InChIKey of 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The InChIKey is GUSRDVHEJOUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(7-11(12)13)14-5-4-6-15-9(2)8-14/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide is sourced from PubChem (CID 62974857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).