3-cycloheptyloxy-2-methylpropanimidamide

C11H22N2O — CID 114995552

IUPAC3-cycloheptyloxy-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COC1CCCCCC1
InChIInChI=1S/C11H22N2O/c1-9(11(12)13)8-14-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyPIUCNXQRTOFQJY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.30
Rot. Bonds4

About 3-cycloheptyloxy-2-methylpropanimidamide

3-cycloheptyloxy-2-methylpropanimidamide (PubChem CID 114995552) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cycloheptyloxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-cycloheptyloxy-2-methylpropanimidamide
PubChem CID114995552
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-cycloheptyloxy-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COC1CCCCCC1
InChIInChI=1S/C11H22N2O/c1-9(11(12)13)8-14-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyPIUCNXQRTOFQJY-UHFFFAOYSA-N
XLogP2.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
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

2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide
CID 43368534
3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
CID 43368378
3-(cyclopropylmethoxy)-2-methylpropanimidamide
CID 43368806
1-cyclododecyloxypropan-2-ol
CID 54403914
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941
4-cycloheptyloxy-2,2-dimethylbutanimidamide
CID 65251287
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
CID 104690087
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyloxy-2-methylpropanimidamide?
The IUPAC name of 3-cycloheptyloxy-2-methylpropanimidamide (CID 114995552) is 3-cycloheptyloxy-2-methylpropanimidamide.
What is the SMILES notation for 3-cycloheptyloxy-2-methylpropanimidamide?
The canonical SMILES for 3-cycloheptyloxy-2-methylpropanimidamide is [H]/N=C(\N)C(C)COC1CCCCCC1.
What is the InChIKey of 3-cycloheptyloxy-2-methylpropanimidamide?
The InChIKey is PIUCNXQRTOFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(11(12)13)8-14-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H3,12,13).
What are the key properties of 3-cycloheptyloxy-2-methylpropanimidamide?
3-cycloheptyloxy-2-methylpropanimidamide has a molecular weight of 198.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyloxy-2-methylpropanimidamide is sourced from PubChem (CID 114995552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).