1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine

C11H26N2 — CID 66455555

IUPAC1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-9(2)13(7)8-11(4,5)10(3)12-6/h9-10,12H,8H2,1-7H3
InChIKeyZDYRVGKDWCNRQC-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds5

About 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine

1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 66455555) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID66455555
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-9(2)13(7)8-11(4,5)10(3)12-6/h9-10,12H,8H2,1-7H3
InChIKeyZDYRVGKDWCNRQC-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 66455555) is 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine is CNC(C)C(C)(C)CN(C)C(C)C.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is ZDYRVGKDWCNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-9(2)13(7)8-11(4,5)10(3)12-6/h9-10,12H,8H2,1-7H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 66455555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).