2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine

C11H26N2 — CID 61377871

IUPAC2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(C)CN
InChIInChI=1S/C11H26N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,6-8,12H2,1-5H3
InChIKeyUHPXSICCTGCQRA-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.95
Rot. Bonds6

About 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine

2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine (PubChem CID 61377871) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
PubChem CID61377871
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(C)CN
InChIInChI=1S/C11H26N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,6-8,12H2,1-5H3
InChIKeyUHPXSICCTGCQRA-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.95
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-bis(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine (CID 61377871) is 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine is CC(C)CN(CC(C)C)C(C)CN.
What is the InChIKey of 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
The InChIKey is UHPXSICCTGCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,6-8,12H2,1-5H3.
What are the key properties of 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 61377871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).