2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine

C17H28N2O — CID 79008023

IUPAC2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(CCOC)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-17(14-18,13-15-7-5-4-6-8-15)19(11-12-20-2)16-9-10-16/h4-8,16H,3,9-14,18H2,1-2H3
InChIKeyYZAHPFUVAJQQHR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds9

About 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine

2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine (PubChem CID 79008023) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
PubChem CID79008023
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(CCOC)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-17(14-18,13-15-7-5-4-6-8-15)19(11-12-20-2)16-9-10-16/h4-8,16H,3,9-14,18H2,1-2H3
InChIKeyYZAHPFUVAJQQHR-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine (CID 79008023) is 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(CCOC)C1CC1.
What is the InChIKey of 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The InChIKey is YZAHPFUVAJQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-17(14-18,13-15-7-5-4-6-8-15)19(11-12-20-2)16-9-10-16/h4-8,16H,3,9-14,18H2,1-2H3.
What are the key properties of 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine is sourced from PubChem (CID 79008023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).