1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine

C12H28N2O — CID 62427242

IUPAC1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC)C(C)COC
InChIInChI=1S/C12H28N2O/c1-6-13-9-8-11(3)14(7-2)12(4)10-15-5/h11-13H,6-10H2,1-5H3
InChIKeyAFOWDAXIPHDPCB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine

1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine (PubChem CID 62427242) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine
PubChem CID62427242
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC)C(C)COC
InChIInChI=1S/C12H28N2O/c1-6-13-9-8-11(3)14(7-2)12(4)10-15-5/h11-13H,6-10H2,1-5H3
InChIKeyAFOWDAXIPHDPCB-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine (CID 62427242) is 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine is CCNCCC(C)N(CC)C(C)COC.
What is the InChIKey of 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine?
The InChIKey is AFOWDAXIPHDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-13-9-8-11(3)14(7-2)12(4)10-15-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine?
1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-3-N-(1-methoxypropan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 62427242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).