azane;1-cyclobutylbutan-1-amine;dihydrate

C8H24N2O2 — CID 140660348

IUPACazane;1-cyclobutylbutan-1-amine;dihydrate
SMILESCCCC(N)C1CCC1.N.O.O
InChIInChI=1S/C8H17N.H3N.2H2O/c1-2-4-8(9)7-5-3-6-7;;;/h7-8H,2-6,9H2,1H3;1H3;2*1H2
InChIKeyJZWZSDVKCPJFGI-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.43
Rot. Bonds3

About azane;1-cyclobutylbutan-1-amine;dihydrate

azane;1-cyclobutylbutan-1-amine;dihydrate (PubChem CID 140660348) has the molecular formula C8H24N2O2 and a molecular weight of 180.29 g/mol. Its IUPAC name is azane;1-cyclobutylbutan-1-amine;dihydrate.

Molecular Properties

Compound Nameazane;1-cyclobutylbutan-1-amine;dihydrate
PubChem CID140660348
Molecular FormulaC8H24N2O2
Molecular Weight180.29 g/mol
Exact Mass180.18
IUPAC Nameazane;1-cyclobutylbutan-1-amine;dihydrate
SMILESCCCC(N)C1CCC1.N.O.O
InChIInChI=1S/C8H17N.H3N.2H2O/c1-2-4-8(9)7-5-3-6-7;;;/h7-8H,2-6,9H2,1H3;1H3;2*1H2
InChIKeyJZWZSDVKCPJFGI-UHFFFAOYSA-N
XLogP0.43
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclobutyl-3-fluorobutan-2-amine
CID 84649039
4-Cyclobutyl-3-fluorobutan-2-amine
CID 105428849
4-Cyclobutyl-4-fluorobutan-2-amine
CID 105428854
4-Butylhexane-1,5-diamine
CID 19005187
4-(3-Methylbutyl)hexane-1,5-diamine
CID 19005215
4-(2-Methylbutyl)hexane-1,5-diamine
CID 19005217
4-Methylnonane-1,8-diamine
CID 19744959
4-Methyloctane-1,7-diamine
CID 19907683
7-Methylundecane-1,5,11-triamine
CID 20606517
1-Cyclobutylbutan-1-amine
CID 21274623
4-(1-Aminoethyl)octane-1,8-diamine
CID 22280299
4-Ethyl-6-methyloctane-1,5-diamine
CID 22447817

Frequently Asked Questions

What is the IUPAC name of azane;1-cyclobutylbutan-1-amine;dihydrate?
The IUPAC name of azane;1-cyclobutylbutan-1-amine;dihydrate (CID 140660348) is azane;1-cyclobutylbutan-1-amine;dihydrate.
What is the SMILES notation for azane;1-cyclobutylbutan-1-amine;dihydrate?
The canonical SMILES for azane;1-cyclobutylbutan-1-amine;dihydrate is CCCC(N)C1CCC1.N.O.O.
What is the InChIKey of azane;1-cyclobutylbutan-1-amine;dihydrate?
The InChIKey is JZWZSDVKCPJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.H3N.2H2O/c1-2-4-8(9)7-5-3-6-7;;;/h7-8H,2-6,9H2,1H3;1H3;2*1H2.
What are the key properties of azane;1-cyclobutylbutan-1-amine;dihydrate?
azane;1-cyclobutylbutan-1-amine;dihydrate has a molecular weight of 180.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-cyclobutylbutan-1-amine;dihydrate is sourced from PubChem (CID 140660348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).