3-[methyl(oxan-4-yl)amino]pentanimidamide

C11H23N3O — CID 43611267

IUPAC3-[methyl(oxan-4-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)C1CCOCC1
InChIInChI=1S/C11H23N3O/c1-3-9(8-11(12)13)14(2)10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyVYMHBVRFCYBCON-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds5

About 3-[methyl(oxan-4-yl)amino]pentanimidamide

3-[methyl(oxan-4-yl)amino]pentanimidamide (PubChem CID 43611267) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]pentanimidamide
PubChem CID43611267
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[methyl(oxan-4-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)C1CCOCC1
InChIInChI=1S/C11H23N3O/c1-3-9(8-11(12)13)14(2)10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyVYMHBVRFCYBCON-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62432388
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 63982121
3-[(3,4-dimethylcyclohexyl)-methylamino]butanimidamide
CID 64740957
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 61434663
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]pentanimidamide?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]pentanimidamide (CID 43611267) is 3-[methyl(oxan-4-yl)amino]pentanimidamide.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]pentanimidamide?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]pentanimidamide?
The InChIKey is VYMHBVRFCYBCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9(8-11(12)13)14(2)10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[methyl(oxan-4-yl)amino]pentanimidamide?
3-[methyl(oxan-4-yl)amino]pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]pentanimidamide is sourced from PubChem (CID 43611267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).