2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine

C11H26N2 — CID 62439025

IUPAC2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(CC)CC
InChIInChI=1S/C11H26N2/c1-6-11(9-12-10(4)5)13(7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyVKOQFSHQOVLVFP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62439025) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62439025
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(CC)CC
InChIInChI=1S/C11H26N2/c1-6-11(9-12-10(4)5)13(7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyVKOQFSHQOVLVFP-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 62439025) is 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is VKOQFSHQOVLVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(9-12-10(4)5)13(7-2)8-3/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62439025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).