1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine

C11H21NO — CID 83906770

IUPAC1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine
SMILESC[C@@H]1CC(CC2(N)CC2)C[C@H](C)O1
InChIInChI=1S/C11H21NO/c1-8-5-10(6-9(2)13-8)7-11(12)3-4-11/h8-10H,3-7,12H2,1-2H3/t8-,9+,10?
InChIKeyQMHXJLAWHFLCIW-ULKQDVFKSA-N
MW183.30 g/mol
LogP2.07
Rot. Bonds2

About 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine

1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine (PubChem CID 83906770) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine
PubChem CID83906770
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine
SMILESC[C@@H]1CC(CC2(N)CC2)C[C@H](C)O1
InChIInChI=1S/C11H21NO/c1-8-5-10(6-9(2)13-8)7-11(12)3-4-11/h8-10H,3-7,12H2,1-2H3/t8-,9+,10?
InChIKeyQMHXJLAWHFLCIW-ULKQDVFKSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine (CID 83906770) is 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine is C[C@@H]1CC(CC2(N)CC2)C[C@H](C)O1.
What is the InChIKey of 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine?
The InChIKey is QMHXJLAWHFLCIW-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-10(6-9(2)13-8)7-11(12)3-4-11/h8-10H,3-7,12H2,1-2H3/t8-,9+,10?.
What are the key properties of 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine?
1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 83906770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).