2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine

C14H30N2O — CID 83054207

IUPAC2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
SMILESCCCC(CNC)N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-6-14(11-15-3)16(9-10-17-4)12(2)13-7-8-13/h12-15H,5-11H2,1-4H3
InChIKeyAXGPGJDSHYVTTP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds10

About 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine

2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine (PubChem CID 83054207) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
PubChem CID83054207
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
SMILESCCCC(CNC)N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-6-14(11-15-3)16(9-10-17-4)12(2)13-7-8-13/h12-15H,5-11H2,1-4H3
InChIKeyAXGPGJDSHYVTTP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine (CID 83054207) is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine is CCCC(CNC)N(CCOC)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine?
The InChIKey is AXGPGJDSHYVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-14(11-15-3)16(9-10-17-4)12(2)13-7-8-13/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine?
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 83054207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).