2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine

C13H28N2O — CID 115717680

IUPAC2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCOCC(NCC(C)N(C)C1CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-8-11(3)15(4)12-6-7-12/h10-14H,6-9H2,1-5H3
InChIKeyCUUDPJUVRAHGQV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 115717680) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID115717680
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCOCC(NCC(C)N(C)C1CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-8-11(3)15(4)12-6-7-12/h10-14H,6-9H2,1-5H3
InChIKeyCUUDPJUVRAHGQV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine (CID 115717680) is 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine is COCC(NCC(C)N(C)C1CC1)C(C)C.
What is the InChIKey of 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is CUUDPJUVRAHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)13(9-16-5)14-8-11(3)15(4)12-6-7-12/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115717680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).