methyl N-(2,7-dimethyloctan-3-yl)carbamate

C12H25NO2 — CID 144535621

IUPACmethyl N-(2,7-dimethyloctan-3-yl)carbamate
SMILESCOC(=O)NC(CCCC(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-6-8-11(10(3)4)13-12(14)15-5/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyPTDXGTMGOKSRSI-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds6

About methyl N-(2,7-dimethyloctan-3-yl)carbamate

methyl N-(2,7-dimethyloctan-3-yl)carbamate (PubChem CID 144535621) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl N-(2,7-dimethyloctan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,7-dimethyloctan-3-yl)carbamate
PubChem CID144535621
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl N-(2,7-dimethyloctan-3-yl)carbamate
SMILESCOC(=O)NC(CCCC(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-6-8-11(10(3)4)13-12(14)15-5/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyPTDXGTMGOKSRSI-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[7-(methoxycarbonylamino)-2-methylheptan-3-yl]carbamate
CID 140837720
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
4-methylpentyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423220
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl 21-methyldocosanoate
CID 14178788
1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
CID 97014465
tert-butyl N-[(3S)-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-methylhexan-3-yl]carbamate
CID 155326284
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,7-dimethyloctan-3-yl)carbamate?
The IUPAC name of methyl N-(2,7-dimethyloctan-3-yl)carbamate (CID 144535621) is methyl N-(2,7-dimethyloctan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2,7-dimethyloctan-3-yl)carbamate?
The canonical SMILES for methyl N-(2,7-dimethyloctan-3-yl)carbamate is COC(=O)NC(CCCC(C)C)C(C)C.
What is the InChIKey of methyl N-(2,7-dimethyloctan-3-yl)carbamate?
The InChIKey is PTDXGTMGOKSRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-6-8-11(10(3)4)13-12(14)15-5/h9-11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of methyl N-(2,7-dimethyloctan-3-yl)carbamate?
methyl N-(2,7-dimethyloctan-3-yl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,7-dimethyloctan-3-yl)carbamate is sourced from PubChem (CID 144535621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).