methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate

C14H25NO2 — CID 64756183

IUPACmethyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CC(C)CCC1C
InChIInChI=1S/C14H25NO2/c1-10-4-5-11(2)14(8-10,13(16)17-3)15-9-12-6-7-12/h10-12,15H,4-9H2,1-3H3
InChIKeyYIGSOQKIVXIFRD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds4

About methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate

methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate (PubChem CID 64756183) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
PubChem CID64756183
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CC(C)CCC1C
InChIInChI=1S/C14H25NO2/c1-10-4-5-11(2)14(8-10,13(16)17-3)15-9-12-6-7-12/h10-12,15H,4-9H2,1-3H3
InChIKeyYIGSOQKIVXIFRD-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate (CID 64756183) is methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate is COC(=O)C1(NCC2CC2)CC(C)CCC1C.
What is the InChIKey of methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate?
The InChIKey is YIGSOQKIVXIFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-4-5-11(2)14(8-10,13(16)17-3)15-9-12-6-7-12/h10-12,15H,4-9H2,1-3H3.
What are the key properties of methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate?
methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 64756183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).