ethyl N-(6-methylheptan-2-yl)carbamate

C11H23NO2 — CID 60652004

IUPACethyl N-(6-methylheptan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-14-11(13)12-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13)
InChIKeyPPLMZGMJGMLKGX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds6

About ethyl N-(6-methylheptan-2-yl)carbamate

ethyl N-(6-methylheptan-2-yl)carbamate (PubChem CID 60652004) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl N-(6-methylheptan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-methylheptan-2-yl)carbamate
PubChem CID60652004
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl N-(6-methylheptan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-14-11(13)12-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13)
InChIKeyPPLMZGMJGMLKGX-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl N-(5-cyanopentan-2-yl)carbamate
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ethyl N-(1-bromopropan-2-yl)carbamate
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ethyl 2-(6-methylheptan-2-ylamino)pentanoate
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ethyl N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
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1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
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methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
ethyl N-pent-4-en-2-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methylheptan-2-yl)carbamate?
The IUPAC name of ethyl N-(6-methylheptan-2-yl)carbamate (CID 60652004) is ethyl N-(6-methylheptan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(6-methylheptan-2-yl)carbamate?
The canonical SMILES for ethyl N-(6-methylheptan-2-yl)carbamate is CCOC(=O)NC(C)CCCC(C)C.
What is the InChIKey of ethyl N-(6-methylheptan-2-yl)carbamate?
The InChIKey is PPLMZGMJGMLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-14-11(13)12-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13).
What are the key properties of ethyl N-(6-methylheptan-2-yl)carbamate?
ethyl N-(6-methylheptan-2-yl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methylheptan-2-yl)carbamate is sourced from PubChem (CID 60652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).