1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine

C15H29NO2 — CID 64739337

IUPAC1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(COC2CCC(C)C(C)C2)O1
InChIInChI=1S/C15H29NO2/c1-11-4-5-13(8-12(11)2)17-10-15-7-6-14(18-15)9-16-3/h11-16H,4-10H2,1-3H3
InChIKeyFTYZUBBHFHGCHA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.59
Rot. Bonds5

About 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 64739337) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID64739337
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(COC2CCC(C)C(C)C2)O1
InChIInChI=1S/C15H29NO2/c1-11-4-5-13(8-12(11)2)17-10-15-7-6-14(18-15)9-16-3/h11-16H,4-10H2,1-3H3
InChIKeyFTYZUBBHFHGCHA-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine (CID 64739337) is 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(COC2CCC(C)C(C)C2)O1.
What is the InChIKey of 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is FTYZUBBHFHGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11-4-5-13(8-12(11)2)17-10-15-7-6-14(18-15)9-16-3/h11-16H,4-10H2,1-3H3.
What are the key properties of 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 64739337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).