methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate

C14H27NO2 — CID 54908156

IUPACmethyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-12(2)15-14(13(16)17-3)10-8-6-5-7-9-11-14/h12,15H,4-11H2,1-3H3
InChIKeyUFDLUWYPRLOHNR-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds4

About methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate

methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate (PubChem CID 54908156) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
PubChem CID54908156
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-12(2)15-14(13(16)17-3)10-8-6-5-7-9-11-14/h12,15H,4-11H2,1-3H3
InChIKeyUFDLUWYPRLOHNR-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
1-(butan-2-ylamino)cycloheptane-1-carboxamide
CID 61023374
methyl 3-(butan-2-ylamino)thiolane-3-carboxylate
CID 61023768
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
CID 106822708
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108

Frequently Asked Questions

What is the IUPAC name of methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate?
The IUPAC name of methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate (CID 54908156) is methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate.
What is the SMILES notation for methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate?
The canonical SMILES for methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate is CCC(C)NC1(C(=O)OC)CCCCCCC1.
What is the InChIKey of methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate?
The InChIKey is UFDLUWYPRLOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-12(2)15-14(13(16)17-3)10-8-6-5-7-9-11-14/h12,15H,4-11H2,1-3H3.
What are the key properties of methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate?
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate is sourced from PubChem (CID 54908156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).