azane;butan-1-amine;ethane;hydrate

C14H58N6O — CID 159979344

IUPACazane;butan-1-amine;ethane;hydrate
SMILESCC.CC.CC.CC.CC.CCCCN.N.N.N.N.N.O
InChIInChI=1S/C4H11N.5C2H6.5H3N.H2O/c1-2-3-4-5;5*1-2;;;;;;/h2-5H2,1H3;5*1-2H3;5*1H3;1H2
InChIKeyVQPCKCIKHDHVGI-UHFFFAOYSA-N
MW326.66 g/mol
LogP5.86
Rot. Bonds2

About azane;butan-1-amine;ethane;hydrate

azane;butan-1-amine;ethane;hydrate (PubChem CID 159979344) has the molecular formula C14H58N6O and a molecular weight of 326.66 g/mol. Its IUPAC name is azane;butan-1-amine;ethane;hydrate.

Molecular Properties

Compound Nameazane;butan-1-amine;ethane;hydrate
PubChem CID159979344
Molecular FormulaC14H58N6O
Molecular Weight326.66 g/mol
Exact Mass326.47
IUPAC Nameazane;butan-1-amine;ethane;hydrate
SMILESCC.CC.CC.CC.CC.CCCCN.N.N.N.N.N.O
InChIInChI=1S/C4H11N.5C2H6.5H3N.H2O/c1-2-3-4-5;5*1-2;;;;;;/h2-5H2,1H3;5*1-2H3;5*1H3;1H2
InChIKeyVQPCKCIKHDHVGI-UHFFFAOYSA-N
XLogP5.86
TPSA232.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500326.66
LogP ≤ 55.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 159237160
CID 159237160
tris(butan-1-amine);methylsilane
CID 161377074
ethane;heptane;propane-1,3-diamine
CID 157305381
nonan-1-amine;dihydrate
CID 174770026
ethane;tetrakis(heptane);bis(propane-1,3-diamine)
CID 160550641
octadecan-1-amine;hydrate
CID 158026408
hexan-1-amine;dihydrate
CID 174459608
butan-1-amine;dodecan-1-amine
CID 158532895
azane;hexadecan-1-amine
CID 19891859
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283
butan-1-amine;dichlorogermane
CID 174998668
azane;formaldehyde;hexane;methane;pentan-1-amine;dihydrate
CID 162030126

Frequently Asked Questions

What is the IUPAC name of azane;butan-1-amine;ethane;hydrate?
The IUPAC name of azane;butan-1-amine;ethane;hydrate (CID 159979344) is azane;butan-1-amine;ethane;hydrate.
What is the SMILES notation for azane;butan-1-amine;ethane;hydrate?
The canonical SMILES for azane;butan-1-amine;ethane;hydrate is CC.CC.CC.CC.CC.CCCCN.N.N.N.N.N.O.
What is the InChIKey of azane;butan-1-amine;ethane;hydrate?
The InChIKey is VQPCKCIKHDHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.5C2H6.5H3N.H2O/c1-2-3-4-5;5*1-2;;;;;;/h2-5H2,1H3;5*1-2H3;5*1H3;1H2.
What are the key properties of azane;butan-1-amine;ethane;hydrate?
azane;butan-1-amine;ethane;hydrate has a molecular weight of 326.66 g/mol, XLogP of 5.86, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butan-1-amine;ethane;hydrate is sourced from PubChem (CID 159979344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).