2,5-dimethylheptan-2-yl carbamate

C10H21NO2 — CID 123535810

IUPAC2,5-dimethylheptan-2-yl carbamate
SMILESCCC(C)CCC(C)(C)OC(N)=O
InChIInChI=1S/C10H21NO2/c1-5-8(2)6-7-10(3,4)13-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyAVQBCEUKMWWFGV-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.69
Rot. Bonds5

About 2,5-dimethylheptan-2-yl carbamate

2,5-dimethylheptan-2-yl carbamate (PubChem CID 123535810) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,5-dimethylheptan-2-yl carbamate.

Molecular Properties

Compound Name2,5-dimethylheptan-2-yl carbamate
PubChem CID123535810
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,5-dimethylheptan-2-yl carbamate
SMILESCCC(C)CCC(C)(C)OC(N)=O
InChIInChI=1S/C10H21NO2/c1-5-8(2)6-7-10(3,4)13-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyAVQBCEUKMWWFGV-UHFFFAOYSA-N
XLogP2.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethylheptan-2-yl carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Carbamic acid, 2-ethylhexyl ester
CID 94289
2-Propylpentyl carbamate
CID 60148582
Carbamic acid, 1-ethylcyclohexyl ester
CID 47207
3-Heptanol, 4-propyl-, carbamate
CID 3040242
(1-Methylcycloheptyl) carbamate
CID 45092374
Isooctyl carbamate
CID 303756
(1-Methylcyclohexyl) carbamate
CID 12129074
(1-Butylcyclohexyl) carbamate
CID 20429703
(2,4-Dimethyl-3-propan-2-ylpentan-2-yl) carbamate
CID 53636607
(6-Carbamoyloxy-5,6-dimethylheptyl) carbamate
CID 54349192
(1-Cyclohexyl-2-methylpropan-2-yl) carbamate
CID 67799418
1,1-Dicyclohexylethyl carbamate
CID 68593520

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptan-2-yl carbamate?
The IUPAC name of 2,5-dimethylheptan-2-yl carbamate (CID 123535810) is 2,5-dimethylheptan-2-yl carbamate.
What is the SMILES notation for 2,5-dimethylheptan-2-yl carbamate?
The canonical SMILES for 2,5-dimethylheptan-2-yl carbamate is CCC(C)CCC(C)(C)OC(N)=O.
What is the InChIKey of 2,5-dimethylheptan-2-yl carbamate?
The InChIKey is AVQBCEUKMWWFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(2)6-7-10(3,4)13-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 2,5-dimethylheptan-2-yl carbamate?
2,5-dimethylheptan-2-yl carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptan-2-yl carbamate is sourced from PubChem (CID 123535810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).