(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine

C11H20N2O — CID 89474041

IUPAC(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine
SMILESCNCCC(C)O[C@H]1C=CC(N)=CC1
InChIInChI=1S/C11H20N2O/c1-9(7-8-13-2)14-11-5-3-10(12)4-6-11/h3-5,9,11,13H,6-8,12H2,1-2H3/t9?,11-/m0/s1
InChIKeyWUGXBEUIDYMYAN-UMJHXOGRSA-N
MW196.29 g/mol
LogP1.17
Rot. Bonds5

About (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine

(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine (PubChem CID 89474041) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine
PubChem CID89474041
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine
SMILESCNCCC(C)O[C@H]1C=CC(N)=CC1
InChIInChI=1S/C11H20N2O/c1-9(7-8-13-2)14-11-5-3-10(12)4-6-11/h3-5,9,11,13H,6-8,12H2,1-2H3/t9?,11-/m0/s1
InChIKeyWUGXBEUIDYMYAN-UMJHXOGRSA-N
XLogP1.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine?
The IUPAC name of (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine (CID 89474041) is (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine is CNCCC(C)O[C@H]1C=CC(N)=CC1.
What is the InChIKey of (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine?
The InChIKey is WUGXBEUIDYMYAN-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(7-8-13-2)14-11-5-3-10(12)4-6-11/h3-5,9,11,13H,6-8,12H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine?
(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine has a molecular weight of 196.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89474041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).