1-N',1-N'-dimethylhexane-1,1-diamine

C8H20N2 — CID 11857682

IUPAC1-N',1-N'-dimethylhexane-1,1-diamine
SMILESCCCCCC(N)N(C)C
InChIInChI=1S/C8H20N2/c1-4-5-6-7-8(9)10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyXJXWRADQYNMQHL-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.41
Rot. Bonds5

About 1-N',1-N'-dimethylhexane-1,1-diamine

1-N',1-N'-dimethylhexane-1,1-diamine (PubChem CID 11857682) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N',1-N'-dimethylhexane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethylhexane-1,1-diamine
PubChem CID11857682
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N',1-N'-dimethylhexane-1,1-diamine
SMILESCCCCCC(N)N(C)C
InChIInChI=1S/C8H20N2/c1-4-5-6-7-8(9)10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyXJXWRADQYNMQHL-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
N-(1-aminohexyl)-N-formylformamide
CID 88703874
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
N,N-dimethylmethanamine;tridecane
CID 174432259
hexane-1,1-diamine;hydrobromide
CID 141245501
henicosane-8,14-diamine;dihydrochloride
CID 170909168
hexadecane-6,7-diamine
CID 57245820

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethylhexane-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethylhexane-1,1-diamine (CID 11857682) is 1-N',1-N'-dimethylhexane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethylhexane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethylhexane-1,1-diamine is CCCCCC(N)N(C)C.
What is the InChIKey of 1-N',1-N'-dimethylhexane-1,1-diamine?
The InChIKey is XJXWRADQYNMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-6-7-8(9)10(2)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-N',1-N'-dimethylhexane-1,1-diamine?
1-N',1-N'-dimethylhexane-1,1-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethylhexane-1,1-diamine is sourced from PubChem (CID 11857682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).