1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine

C13H26N2O — CID 116651576

IUPAC1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine
SMILESCN(C1CCOC(C)(C)C1)C(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-13(2)8-11(6-7-16-13)15(3)12(9-14)10-4-5-10/h10-12H,4-9,14H2,1-3H3
InChIKeyVUHZZQRQAHQYEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine

1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine (PubChem CID 116651576) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine
PubChem CID116651576
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine
SMILESCN(C1CCOC(C)(C)C1)C(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-13(2)8-11(6-7-16-13)15(3)12(9-14)10-4-5-10/h10-12H,4-9,14H2,1-3H3
InChIKeyVUHZZQRQAHQYEG-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine (CID 116651576) is 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine is CN(C1CCOC(C)(C)C1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is VUHZZQRQAHQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)8-11(6-7-16-13)15(3)12(9-14)10-4-5-10/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).