4-amino-N-hexan-3-yloxane-4-carboxamide

C12H24N2O2 — CID 115294789

IUPAC4-amino-N-hexan-3-yloxane-4-carboxamide
SMILESCCCC(CC)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-5-10(4-2)14-11(15)12(13)6-8-16-9-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyMGTJBUPEDWBUQB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds5

About 4-amino-N-hexan-3-yloxane-4-carboxamide

4-amino-N-hexan-3-yloxane-4-carboxamide (PubChem CID 115294789) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-hexan-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexan-3-yloxane-4-carboxamide
PubChem CID115294789
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-hexan-3-yloxane-4-carboxamide
SMILESCCCC(CC)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-5-10(4-2)14-11(15)12(13)6-8-16-9-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyMGTJBUPEDWBUQB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
N-hexan-3-yl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76935993
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-3-yloxane-4-carboxamide?
The IUPAC name of 4-amino-N-hexan-3-yloxane-4-carboxamide (CID 115294789) is 4-amino-N-hexan-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-hexan-3-yloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-hexan-3-yloxane-4-carboxamide is CCCC(CC)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-hexan-3-yloxane-4-carboxamide?
The InChIKey is MGTJBUPEDWBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-10(4-2)14-11(15)12(13)6-8-16-9-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-hexan-3-yloxane-4-carboxamide?
4-amino-N-hexan-3-yloxane-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-3-yloxane-4-carboxamide is sourced from PubChem (CID 115294789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).