(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate

C13H27NO2 — CID 137457799

IUPAC(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
SMILESCCCC(CC)C(OC(=O)N(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-7-9-11(8-2)12(10(3)4)16-13(15)14(5)6/h10-12H,7-9H2,1-6H3
InChIKeyDTVTVSNOTLYIEN-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.54
Rot. Bonds6

About (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate

(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate (PubChem CID 137457799) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
PubChem CID137457799
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
SMILESCCCC(CC)C(OC(=O)N(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-7-9-11(8-2)12(10(3)4)16-13(15)14(5)6/h10-12H,7-9H2,1-6H3
InChIKeyDTVTVSNOTLYIEN-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate (CID 137457799) is (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate is CCCC(CC)C(OC(=O)N(C)C)C(C)C.
What is the InChIKey of (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate?
The InChIKey is DTVTVSNOTLYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-9-11(8-2)12(10(3)4)16-13(15)14(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate?
(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 137457799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).