(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate

C13H27NO2 — CID 143520251

IUPAC(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate
SMILESCC(C)CC(C(C)C)C(OC(N)=O)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)7-11(9(3)4)12(10(5)6)16-13(14)15/h8-12H,7H2,1-6H3,(H2,14,15)
InChIKeyNNMODOOOBMMCGU-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.42
Rot. Bonds6

About (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate

(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate (PubChem CID 143520251) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate.

Molecular Properties

Compound Name(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate
PubChem CID143520251
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate
SMILESCC(C)CC(C(C)C)C(OC(N)=O)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)7-11(9(3)4)12(10(5)6)16-13(14)15/h8-12H,7H2,1-6H3,(H2,14,15)
InChIKeyNNMODOOOBMMCGU-UHFFFAOYSA-N
XLogP3.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate?
The IUPAC name of (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate (CID 143520251) is (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate.
What is the SMILES notation for (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate?
The canonical SMILES for (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate is CC(C)CC(C(C)C)C(OC(N)=O)C(C)C.
What is the InChIKey of (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate?
The InChIKey is NNMODOOOBMMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-8(2)7-11(9(3)4)12(10(5)6)16-13(14)15/h8-12H,7H2,1-6H3,(H2,14,15).
What are the key properties of (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate?
(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate is sourced from PubChem (CID 143520251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).