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

C14H30N2O2 — CID 139621168

IUPACbutan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
SMILESCCC(C)OC(=O)NCC(C)(C)CCC(C)CN
InChIInChI=1S/C14H30N2O2/c1-6-12(3)18-13(17)16-10-14(4,5)8-7-11(2)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyAYINHKLDZKUXHA-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.91
Rot. Bonds8

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

butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate (PubChem CID 139621168) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate.

Molecular Properties

Compound Namebutan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
PubChem CID139621168
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namebutan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
SMILESCCC(C)OC(=O)NCC(C)(C)CCC(C)CN
InChIInChI=1S/C14H30N2O2/c1-6-12(3)18-13(17)16-10-14(4,5)8-7-11(2)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyAYINHKLDZKUXHA-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The IUPAC name of butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate (CID 139621168) is butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate.
What is the SMILES notation for butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The canonical SMILES for butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate is CCC(C)OC(=O)NCC(C)(C)CCC(C)CN.
What is the InChIKey of butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
The InChIKey is AYINHKLDZKUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-12(3)18-13(17)16-10-14(4,5)8-7-11(2)9-15/h11-12H,6-10,15H2,1-5H3,(H,16,17).
What are the key properties of butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate?
butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate has a molecular weight of 258.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate is sourced from PubChem (CID 139621168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).