N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride

C8H22Cl2N2 — CID 20545505

IUPACN,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
SMILESCN(C)CCCCN(C)C.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-9(2)7-5-6-8-10(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyKUFSMRWXZRFVNM-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.73
Rot. Bonds5

About N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride

N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride (PubChem CID 20545505) has the molecular formula C8H22Cl2N2 and a molecular weight of 217.18 g/mol. Its IUPAC name is N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
PubChem CID20545505
Molecular FormulaC8H22Cl2N2
Molecular Weight217.18 g/mol
Exact Mass216.12
IUPAC NameN,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
SMILESCN(C)CCCCN(C)C.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-9(2)7-5-6-8-10(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyKUFSMRWXZRFVNM-UHFFFAOYSA-N
XLogP1.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride?
The IUPAC name of N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride (CID 20545505) is N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride.
What is the SMILES notation for N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride?
The canonical SMILES for N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride is CN(C)CCCCN(C)C.Cl.Cl.
What is the InChIKey of N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride?
The InChIKey is KUFSMRWXZRFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.2ClH/c1-9(2)7-5-6-8-10(3)4;;/h5-8H2,1-4H3;2*1H.
What are the key properties of N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride?
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride has a molecular weight of 217.18 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 20545505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).