2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine

C15H25NO — CID 128701906

IUPAC2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine
SMILESC1CC2(C1)CC(NC1CCOC(C3CC3)C1)C2
InChIInChI=1S/C15H25NO/c1-5-15(6-1)9-13(10-15)16-12-4-7-17-14(8-12)11-2-3-11/h11-14,16H,1-10H2
InChIKeyDVVBZKFDGDUPPR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.87
Rot. Bonds3

About 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine

2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine (PubChem CID 128701906) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine
PubChem CID128701906
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine
SMILESC1CC2(C1)CC(NC1CCOC(C3CC3)C1)C2
InChIInChI=1S/C15H25NO/c1-5-15(6-1)9-13(10-15)16-12-4-7-17-14(8-12)11-2-3-11/h11-14,16H,1-10H2
InChIKeyDVVBZKFDGDUPPR-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine?
The IUPAC name of 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine (CID 128701906) is 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine?
The canonical SMILES for 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine is C1CC2(C1)CC(NC1CCOC(C3CC3)C1)C2.
What is the InChIKey of 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine?
The InChIKey is DVVBZKFDGDUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(6-1)9-13(10-15)16-12-4-7-17-14(8-12)11-2-3-11/h11-14,16H,1-10H2.
What are the key properties of 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine?
2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine has a molecular weight of 235.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-spiro[3.3]heptan-2-yloxan-4-amine is sourced from PubChem (CID 128701906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).