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

C11H22N2O — CID 62384670

IUPACN-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CC1)C(CN)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-13(10-2-3-10)11(8-12)9-4-6-14-7-5-9/h9-11H,2-8,12H2,1H3
InChIKeyXWUVBPKCAZCBPN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds4

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

N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62384670) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62384670
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CC1)C(CN)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-13(10-2-3-10)11(8-12)9-4-6-14-7-5-9/h9-11H,2-8,12H2,1H3
InChIKeyXWUVBPKCAZCBPN-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 62386127
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
CID 116651214
N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651436
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine
CID 116651576
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
CID 106820716
1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 104575342
N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386855
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 65228049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 62384670) is N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine is CN(C1CC1)C(CN)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is XWUVBPKCAZCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(10-2-3-10)11(8-12)9-4-6-14-7-5-9/h9-11H,2-8,12H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine?
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62384670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).