4-butan-2-yloxan-4-amine

C9H19NO — CID 79445166

IUPAC4-butan-2-yloxan-4-amine
SMILESCCC(C)C1(N)CCOCC1
InChIInChI=1S/C9H19NO/c1-3-8(2)9(10)4-6-11-7-5-9/h8H,3-7,10H2,1-2H3
InChIKeyZGNGKINZLXVMRH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 4-butan-2-yloxan-4-amine

4-butan-2-yloxan-4-amine (PubChem CID 79445166) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-butan-2-yloxan-4-amine
PubChem CID79445166
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butan-2-yloxan-4-amine
SMILESCCC(C)C1(N)CCOCC1
InChIInChI=1S/C9H19NO/c1-3-8(2)9(10)4-6-11-7-5-9/h8H,3-7,10H2,1-2H3
InChIKeyZGNGKINZLXVMRH-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-propylcyclohexan-1-amine
CID 79445578
3-pentan-2-yloxan-3-amine
CID 107892383
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
4-(2-ethylbutyl)oxepan-4-amine
CID 82920878
4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
CID 104551857
ethane;4-ethyl-4-propan-2-yloxane
CID 177350688
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
[4-(2-methylbutyl)oxan-4-yl]methanol
CID 66024312
4-(chloromethyl)-4-pentan-2-yloxane
CID 107893119

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxan-4-amine?
The IUPAC name of 4-butan-2-yloxan-4-amine (CID 79445166) is 4-butan-2-yloxan-4-amine.
What is the SMILES notation for 4-butan-2-yloxan-4-amine?
The canonical SMILES for 4-butan-2-yloxan-4-amine is CCC(C)C1(N)CCOCC1.
What is the InChIKey of 4-butan-2-yloxan-4-amine?
The InChIKey is ZGNGKINZLXVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-8(2)9(10)4-6-11-7-5-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 4-butan-2-yloxan-4-amine?
4-butan-2-yloxan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxan-4-amine is sourced from PubChem (CID 79445166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).