1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine

C10H22N2O — CID 80562207

IUPAC1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine
SMILESCCCC(COC)NC1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-3-4-9(7-13-2)12-10-5-8(11)6-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyQHYWXKNPIJHORX-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds6

About 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine

1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine (PubChem CID 80562207) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine
PubChem CID80562207
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine
SMILESCCCC(COC)NC1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-3-4-9(7-13-2)12-10-5-8(11)6-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyQHYWXKNPIJHORX-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine (CID 80562207) is 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine is CCCC(COC)NC1CC(N)C1.
What is the InChIKey of 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine?
The InChIKey is QHYWXKNPIJHORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-4-9(7-13-2)12-10-5-8(11)6-10/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine?
1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).