1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C11H22N2O — CID 114616059

IUPAC1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)C1CCC(C)O1
InChIInChI=1S/C11H22N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h9-11,13H,1,4-7,12H2,2-3H3
InChIKeyMHBBAPBUCUZDLD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.05
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 114616059) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID114616059
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)C1CCC(C)O1
InChIInChI=1S/C11H22N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h9-11,13H,1,4-7,12H2,2-3H3
InChIKeyMHBBAPBUCUZDLD-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(1-propan-2-yloxyethenyl)pyrrolidin-2-yl]methanamine
CID 172335873
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 55070191
N-[1-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 62141256
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
CID 62418406
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418407
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62418603
N-methyl-N'-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62559751
N-ethyl-N'-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62559951
N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine
CID 62559957
N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 62559960
N'-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62560751

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 114616059) is 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNC(CN)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is MHBBAPBUCUZDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h9-11,13H,1,4-7,12H2,2-3H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 114616059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).