3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide

C14H27N3O — CID 79905622

IUPAC3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27N3O/c1-3-17(10-11(2)13(15)16)12-5-8-18-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3,(H3,15,16)
InChIKeyOFQGRJWXDDZNPH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.98
Rot. Bonds5

About 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide

3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide (PubChem CID 79905622) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
PubChem CID79905622
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27N3O/c1-3-17(10-11(2)13(15)16)12-5-8-18-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3,(H3,15,16)
InChIKeyOFQGRJWXDDZNPH-UHFFFAOYSA-N
XLogP1.98
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.98
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

N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905947
3-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]propanimidamide
CID 79902458
2-methyl-3-[methyl(oxolan-3-yl)amino]propanimidamide
CID 63558755
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide (CID 79905622) is 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide?
The InChIKey is OFQGRJWXDDZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17(10-11(2)13(15)16)12-5-8-18-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3,(H3,15,16).
What are the key properties of 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide?
3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide has a molecular weight of 253.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 79905622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).