methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate

C15H30N2O2 — CID 61212301

IUPACmethyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
SMILESCOC(=O)CC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-12-7-6-8-15(10-12,17(3)4)11-16-13(2)9-14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyZDGHGEOGNDTUJO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds6

About methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate

methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate (PubChem CID 61212301) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
PubChem CID61212301
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
SMILESCOC(=O)CC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-12-7-6-8-15(10-12,17(3)4)11-16-13(2)9-14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyZDGHGEOGNDTUJO-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate?
The IUPAC name of methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate (CID 61212301) is methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate.
What is the SMILES notation for methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate?
The canonical SMILES for methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate is COC(=O)CC(C)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate?
The InChIKey is ZDGHGEOGNDTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-7-6-8-15(10-12,17(3)4)11-16-13(2)9-14(18)19-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate?
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate is sourced from PubChem (CID 61212301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).