1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine

C10H24N2 — CID 19426586

IUPAC1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
SMILESCC(N(C)C)C(C)(C)CN(C)C
InChIInChI=1S/C10H24N2/c1-9(12(6)7)10(2,3)8-11(4)5/h9H,8H2,1-7H3
InChIKeyALHPIYALLQVMJK-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.52
Rot. Bonds4

About 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine

1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine (PubChem CID 19426586) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
PubChem CID19426586
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
SMILESCC(N(C)C)C(C)(C)CN(C)C
InChIInChI=1S/C10H24N2/c1-9(12(6)7)10(2,3)8-11(4)5/h9H,8H2,1-7H3
InChIKeyALHPIYALLQVMJK-UHFFFAOYSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine (CID 19426586) is 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine is CC(N(C)C)C(C)(C)CN(C)C.
What is the InChIKey of 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine?
The InChIKey is ALHPIYALLQVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(12(6)7)10(2,3)8-11(4)5/h9H,8H2,1-7H3.
What are the key properties of 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine?
1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine is sourced from PubChem (CID 19426586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).