propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate

C13H28N2O2 — CID 139621166

IUPACpropan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
SMILESCC(CN)CCC(C)(C)CNC(=O)OC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)17-12(16)15-9-13(4,5)7-6-11(3)8-14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyKFAQRPMQDRMIBF-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds7

About propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate

propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate (PubChem CID 139621166) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
PubChem CID139621166
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namepropan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
SMILESCC(CN)CCC(C)(C)CNC(=O)OC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)17-12(16)15-9-13(4,5)7-6-11(3)8-14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyKFAQRPMQDRMIBF-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The IUPAC name of propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate (CID 139621166) is propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate.
What is the SMILES notation for propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The canonical SMILES for propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate is CC(CN)CCC(C)(C)CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The InChIKey is KFAQRPMQDRMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)17-12(16)15-9-13(4,5)7-6-11(3)8-14/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate is sourced from PubChem (CID 139621166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).