methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate

C16H29NO2 — CID 114818417

IUPACmethyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCC2(CCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-4-13(2)17-16(14(18)19-3)11-9-15(10-12-16)7-5-6-8-15/h13,17H,4-12H2,1-3H3
InChIKeyZZZXMMSLMYSTJH-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds4

About methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate

methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate (PubChem CID 114818417) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
PubChem CID114818417
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCC2(CCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-4-13(2)17-16(14(18)19-3)11-9-15(10-12-16)7-5-6-8-15/h13,17H,4-12H2,1-3H3
InChIKeyZZZXMMSLMYSTJH-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate (CID 114818417) is methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate is CCC(C)NC1(C(=O)OC)CCC2(CCCC2)CC1.
What is the InChIKey of methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate?
The InChIKey is ZZZXMMSLMYSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-13(2)17-16(14(18)19-3)11-9-15(10-12-16)7-5-6-8-15/h13,17H,4-12H2,1-3H3.
What are the key properties of methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate?
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 114818417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).