(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate

C12H25NO2 — CID 173061808

IUPAC(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate
SMILESCCC(N)(OC=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-12(13,15-9-14)11(5,6)8-10(2,3)4/h9H,7-8,13H2,1-6H3
InChIKeyCYGREMLRWRCVFV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.69
Rot. Bonds5

About (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate

(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate (PubChem CID 173061808) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate.

Molecular Properties

Compound Name(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate
PubChem CID173061808
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate
SMILESCCC(N)(OC=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-12(13,15-9-14)11(5,6)8-10(2,3)4/h9H,7-8,13H2,1-6H3
InChIKeyCYGREMLRWRCVFV-UHFFFAOYSA-N
XLogP2.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate?
The IUPAC name of (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate (CID 173061808) is (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate.
What is the SMILES notation for (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate?
The canonical SMILES for (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate is CCC(N)(OC=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate?
The InChIKey is CYGREMLRWRCVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-12(13,15-9-14)11(5,6)8-10(2,3)4/h9H,7-8,13H2,1-6H3.
What are the key properties of (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate?
(3-amino-4,4,6,6-tetramethylheptan-3-yl) formate has a molecular weight of 215.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4,6,6-tetramethylheptan-3-yl) formate is sourced from PubChem (CID 173061808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).