N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide

C11H22N2O3 — CID 106356890

IUPACN-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
SMILESCC(C)C(CCN)NC(=O)C1COCCO1
InChIInChI=1S/C11H22N2O3/c1-8(2)9(3-4-12)13-11(14)10-7-15-5-6-16-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKBWKYJBHVREURX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.11
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide

N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide (PubChem CID 106356890) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
PubChem CID106356890
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
SMILESCC(C)C(CCN)NC(=O)C1COCCO1
InChIInChI=1S/C11H22N2O3/c1-8(2)9(3-4-12)13-11(14)10-7-15-5-6-16-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKBWKYJBHVREURX-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
CID 79028059
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
(2R)-2-(1,4-dioxane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 114004692
(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
CID 107831481
N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
CID 63766496
N-(1-amino-4-methylpentan-3-yl)-2-methylcyclopentane-1-carboxamide
CID 106356810
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide (CID 106356890) is N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide is CC(C)C(CCN)NC(=O)C1COCCO1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is KBWKYJBHVREURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)9(3-4-12)13-11(14)10-7-15-5-6-16-10/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 106356890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).