1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine

C11H22N2O — CID 43611076

IUPAC1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
SMILESCN(C1CCOCC1)C1CCCC1N
InChIInChI=1S/C11H22N2O/c1-13(9-5-7-14-8-6-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeySLJMJUPLHSOVRD-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds2

About 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine

1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine (PubChem CID 43611076) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
PubChem CID43611076
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
SMILESCN(C1CCOCC1)C1CCCC1N
InChIInChI=1S/C11H22N2O/c1-13(9-5-7-14-8-6-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeySLJMJUPLHSOVRD-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine (CID 43611076) is 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine is CN(C1CCOCC1)C1CCCC1N.
What is the InChIKey of 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine?
The InChIKey is SLJMJUPLHSOVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(9-5-7-14-8-6-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine?
1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 43611076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).