[4-(cyclopropylmethyl)oxan-4-yl]methanamine

C10H19NO — CID 82412650

IUPAC[4-(cyclopropylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CC2)CCOCC1
InChIInChI=1S/C10H19NO/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h9H,1-8,11H2
InChIKeyKVCPWVSEAIMBBN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds3

About [4-(cyclopropylmethyl)oxan-4-yl]methanamine

[4-(cyclopropylmethyl)oxan-4-yl]methanamine (PubChem CID 82412650) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)oxan-4-yl]methanamine
PubChem CID82412650
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[4-(cyclopropylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CC2)CCOCC1
InChIInChI=1S/C10H19NO/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h9H,1-8,11H2
InChIKeyKVCPWVSEAIMBBN-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
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-yl]methanamine?
The IUPAC name of [4-(cyclopropylmethyl)oxan-4-yl]methanamine (CID 82412650) is [4-(cyclopropylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(cyclopropylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(cyclopropylmethyl)oxan-4-yl]methanamine is NCC1(CC2CC2)CCOCC1.
What is the InChIKey of [4-(cyclopropylmethyl)oxan-4-yl]methanamine?
The InChIKey is KVCPWVSEAIMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h9H,1-8,11H2.
What are the key properties of [4-(cyclopropylmethyl)oxan-4-yl]methanamine?
[4-(cyclopropylmethyl)oxan-4-yl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 82412650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).