3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide

C15H27N3O — CID 79906210

IUPAC3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27N3O/c16-14(17)5-9-18(12-3-4-12)13-6-10-19-15(11-13)7-1-2-8-15/h12-13H,1-11H2,(H3,16,17)
InChIKeyHUCAOKXSFGRGHW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.27
Rot. Bonds5

About 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide

3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide (PubChem CID 79906210) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
PubChem CID79906210
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27N3O/c16-14(17)5-9-18(12-3-4-12)13-6-10-19-15(11-13)7-1-2-8-15/h12-13H,1-11H2,(H3,16,17)
InChIKeyHUCAOKXSFGRGHW-UHFFFAOYSA-N
XLogP2.27
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.27
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

3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
3-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]propanimidamide
CID 79902458
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79905989
3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
CID 64737100
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
2-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]ethanethioamide
CID 79901099
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide (CID 79906210) is 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C1CC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide?
The InChIKey is HUCAOKXSFGRGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-14(17)5-9-18(12-3-4-12)13-6-10-19-15(11-13)7-1-2-8-15/h12-13H,1-11H2,(H3,16,17).
What are the key properties of 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide?
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide has a molecular weight of 265.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide is sourced from PubChem (CID 79906210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).