3,3-dimethylhexane-1,1-diamine

C8H20N2 — CID 88633791

IUPAC3,3-dimethylhexane-1,1-diamine
SMILESCCCC(C)(C)CC(N)N
InChIInChI=1S/C8H20N2/c1-4-5-8(2,3)6-7(9)10/h7H,4-6,9-10H2,1-3H3
InChIKeyYGNQOBILPZRHPA-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.45
Rot. Bonds4

About 3,3-dimethylhexane-1,1-diamine

3,3-dimethylhexane-1,1-diamine (PubChem CID 88633791) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,3-dimethylhexane-1,1-diamine.

Molecular Properties

Compound Name3,3-dimethylhexane-1,1-diamine
PubChem CID88633791
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3,3-dimethylhexane-1,1-diamine
SMILESCCCC(C)(C)CC(N)N
InChIInChI=1S/C8H20N2/c1-4-5-8(2,3)6-7(9)10/h7H,4-6,9-10H2,1-3H3
InChIKeyYGNQOBILPZRHPA-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyloctan-2-amine
CID 123362443
(3S)-1-iodo-5,5-dimethyloctan-3-amine
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3,3,6,6-tetramethylnonan-5-amine
CID 89328233
3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
CID 123662508
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
3,3-dimethylhexane
CID 11233
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,5,5-trimethyloct-1-ene
CID 123557497
4,4-dimethyldodecan-2-amine
CID 64715723
N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 90854541
4,4-dimethylnonan-5-amine
CID 87513740
4,4,6,12-tetramethyloctadecane
CID 123154666

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhexane-1,1-diamine?
The IUPAC name of 3,3-dimethylhexane-1,1-diamine (CID 88633791) is 3,3-dimethylhexane-1,1-diamine.
What is the SMILES notation for 3,3-dimethylhexane-1,1-diamine?
The canonical SMILES for 3,3-dimethylhexane-1,1-diamine is CCCC(C)(C)CC(N)N.
What is the InChIKey of 3,3-dimethylhexane-1,1-diamine?
The InChIKey is YGNQOBILPZRHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-8(2,3)6-7(9)10/h7H,4-6,9-10H2,1-3H3.
What are the key properties of 3,3-dimethylhexane-1,1-diamine?
3,3-dimethylhexane-1,1-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhexane-1,1-diamine is sourced from PubChem (CID 88633791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).