N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide

C12H24N2O — CID 65053364

IUPACN'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide
SMILESCOCC(/N=C(\N)C1CCCC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(8-15-3)14-12(13)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14)
InChIKeyCTOLMPMTXBBTKR-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.20
Rot. Bonds5

About N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide

N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide (PubChem CID 65053364) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide
PubChem CID65053364
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide
SMILESCOCC(/N=C(\N)C1CCCC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(8-15-3)14-12(13)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14)
InChIKeyCTOLMPMTXBBTKR-UHFFFAOYSA-N
XLogP2.20
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[2-(3-methylbutoxy)ethyl]cyclohexanecarboximidamide
CID 55158630
N'-(2-methoxyethyl)cyclopentanecarboximidamide
CID 63174183
N'-(2-methoxyethyl)cyclohexanecarboximidamide
CID 63174237
N'-(1-methoxypropan-2-yl)cyclopentanecarboximidamide
CID 63174364
N'-(2-ethoxyethyl)cyclopentanecarboximidamide
CID 63174390
N'-(1-methoxypropan-2-yl)cyclohexanecarboximidamide
CID 63174416
N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide
CID 63175782
N'-(3-methoxypropyl)cyclopentanecarboximidamide
CID 63176011
N'-(oxan-4-yl)cyclopentanecarboximidamide
CID 63176227
N'-[2-(2-methoxyethoxy)ethyl]cyclopentanecarboximidamide
CID 63176323
N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide
CID 63176932
N'-(1-ethoxypropan-2-yl)cyclohexanecarboximidamide
CID 63176933

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide?
The IUPAC name of N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide (CID 65053364) is N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide is COCC(/N=C(\N)C1CCCC1)C(C)C.
What is the InChIKey of N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide?
The InChIKey is CTOLMPMTXBBTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(8-15-3)14-12(13)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide?
N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide has a molecular weight of 212.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxy-3-methylbutan-2-yl)cyclopentanecarboximidamide is sourced from PubChem (CID 65053364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).