2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine

C11H22N2O — CID 114616000

IUPAC2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)CNC(C)(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3
InChIKeyCSMMWRKHTZVYBU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.91
Rot. Bonds5

About 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine

2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 114616000) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
PubChem CID114616000
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)CNC(C)(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3
InChIKeyCSMMWRKHTZVYBU-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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

2-(oxolan-3-yl)butane-1,2-diamine
CID 130503517
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-N-cyclopropylacetamide
CID 119929037
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690
(3R,4S)-4-prop-1-en-2-yloxan-3-ol
CID 14982330
2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
CID 113483694
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 113483692
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 65377354

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine (CID 114616000) is 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine is C=C(C)CNC(C)(CN)C1CCOC1.
What is the InChIKey of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is CSMMWRKHTZVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)6-13-11(3,8-12)10-4-5-14-7-10/h10,13H,1,4-8,12H2,2-3H3.
What are the key properties of 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine?
2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 114616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).