1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine

C14H30N2O — CID 55004462

IUPAC1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine
SMILESCOCCN(CC(N)C(C)(C)C)C(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-11(12-6-7-12)16(8-9-17-5)10-13(15)14(2,3)4/h11-13H,6-10,15H2,1-5H3
InChIKeyQHZAAOJWXORWBW-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

About 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine

1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 55004462) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine
PubChem CID55004462
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine
SMILESCOCCN(CC(N)C(C)(C)C)C(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-11(12-6-7-12)16(8-9-17-5)10-13(15)14(2,3)4/h11-13H,6-10,15H2,1-5H3
InChIKeyQHZAAOJWXORWBW-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine (CID 55004462) is 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine is COCCN(CC(N)C(C)(C)C)C(C)C1CC1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is QHZAAOJWXORWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(12-6-7-12)16(8-9-17-5)10-13(15)14(2,3)4/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine?
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 55004462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).