4-(cyclopropylmethyl)oxan-4-amine

C9H17NO — CID 91654794

IUPAC4-(cyclopropylmethyl)oxan-4-amine
SMILESNC1(CC2CC2)CCOCC1
InChIInChI=1S/C9H17NO/c10-9(7-8-1-2-8)3-5-11-6-4-9/h8H,1-7,10H2
InChIKeyANBKZDXTGIRZNE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.29
Rot. Bonds2

About 4-(cyclopropylmethyl)oxan-4-amine

4-(cyclopropylmethyl)oxan-4-amine (PubChem CID 91654794) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)oxan-4-amine
PubChem CID91654794
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(cyclopropylmethyl)oxan-4-amine
SMILESNC1(CC2CC2)CCOCC1
InChIInChI=1S/C9H17NO/c10-9(7-8-1-2-8)3-5-11-6-4-9/h8H,1-7,10H2
InChIKeyANBKZDXTGIRZNE-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)oxan-4-amine?
The IUPAC name of 4-(cyclopropylmethyl)oxan-4-amine (CID 91654794) is 4-(cyclopropylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)oxan-4-amine?
The canonical SMILES for 4-(cyclopropylmethyl)oxan-4-amine is NC1(CC2CC2)CCOCC1.
What is the InChIKey of 4-(cyclopropylmethyl)oxan-4-amine?
The InChIKey is ANBKZDXTGIRZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-9(7-8-1-2-8)3-5-11-6-4-9/h8H,1-7,10H2.
What are the key properties of 4-(cyclopropylmethyl)oxan-4-amine?
4-(cyclopropylmethyl)oxan-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)oxan-4-amine is sourced from PubChem (CID 91654794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).