N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C11H22N2O — CID 82835693

IUPACN-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C2CC2)O1
InChIInChI=1S/C11H22N2O/c1-8-3-6-11(14-8)10(7-12)13(2)9-4-5-9/h8-11H,3-7,12H2,1-2H3
InChIKeyNRXQSFCNMWZIIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835693) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82835693
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C2CC2)O1
InChIInChI=1S/C11H22N2O/c1-8-3-6-11(14-8)10(7-12)13(2)9-4-5-9/h8-11H,3-7,12H2,1-2H3
InChIKeyNRXQSFCNMWZIIY-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82835693) is N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)C2CC2)O1.
What is the InChIKey of N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is NRXQSFCNMWZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-3-6-11(14-8)10(7-12)13(2)9-4-5-9/h8-11H,3-7,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 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-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).