2-[methyl(oxan-4-ylmethyl)amino]butanimidamide

C11H23N3O — CID 63712930

IUPAC2-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O/c1-3-10(11(12)13)14(2)8-9-4-6-15-7-5-9/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyDCQDYCUNBTVPIY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.06
Rot. Bonds5

About 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide

2-[methyl(oxan-4-ylmethyl)amino]butanimidamide (PubChem CID 63712930) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound Name2-[methyl(oxan-4-ylmethyl)amino]butanimidamide
PubChem CID63712930
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O/c1-3-10(11(12)13)14(2)8-9-4-6-15-7-5-9/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyDCQDYCUNBTVPIY-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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

CID 113808158
CID 113808158
CID 43611260
CID 43611260
CID 43611263
CID 43611263
CID 43611268
CID 43611268
CID 55066359
CID 55066359
CID 61692012
CID 61692012
CID 61692216
CID 61692216
CID 61697549
CID 61697549
CID 61697858
CID 61697858
CID 62384590
CID 62384590
CID 62384591
CID 62384591
CID 62384592
CID 62384592

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide (CID 63712930) is 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide.
What is the SMILES notation for 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The canonical SMILES for 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide is [H]/N=C(\N)C(CC)N(C)CC1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The InChIKey is DCQDYCUNBTVPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(11(12)13)14(2)8-9-4-6-15-7-5-9/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
2-[methyl(oxan-4-ylmethyl)amino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 63712930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).