N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide

C12H24N2O2 — CID 106164187

IUPACN-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide
SMILESCCC(C)(CCN)NC(=O)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-4-12(3,6-7-13)14-11(15)10-5-8-16-9(10)2/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyYSZRSEFQMUHMSM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide

N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide (PubChem CID 106164187) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide
PubChem CID106164187
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide
SMILESCCC(C)(CCN)NC(=O)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-4-12(3,6-7-13)14-11(15)10-5-8-16-9(10)2/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyYSZRSEFQMUHMSM-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-ethylpentan-3-yl)oxolane-3-carboxamide
CID 99810984
N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide
CID 114383371
2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79758681
N-(1-aminopentan-3-yl)oxolane-3-carboxamide
CID 62651055
N-(1-amino-2-methylpropan-2-yl)oxolane-3-carboxamide
CID 63193393
N-[3-(aminomethyl)pentan-3-yl]oxolane-3-carboxamide
CID 63765723
N-(1-amino-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 64551137
N-(3-aminopropyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152016
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65152019
N-(4-aminobutan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65152028
N-(3-aminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 65152070
N-(3-amino-2-methylpropyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152222

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide (CID 106164187) is N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide is CCC(C)(CCN)NC(=O)C1CCOC1C.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is YSZRSEFQMUHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(3,6-7-13)14-11(15)10-5-8-16-9(10)2/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide?
N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 106164187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).