N,N-dibutylbutan-1-amine;tetrahydrate

C12H35NO4 — CID 172865997

IUPACN,N-dibutylbutan-1-amine;tetrahydrate
SMILESCCCCN(CCCC)CCCC.O.O.O.O
InChIInChI=1S/C12H27N.4H2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;;;;/h4-12H2,1-3H3;4*1H2
InChIKeyZZRARLSEUKUVIQ-UHFFFAOYSA-N
MW257.41 g/mol
LogP0.39
Rot. Bonds9

About N,N-dibutylbutan-1-amine;tetrahydrate

N,N-dibutylbutan-1-amine;tetrahydrate (PubChem CID 172865997) has the molecular formula C12H35NO4 and a molecular weight of 257.41 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;tetrahydrate.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;tetrahydrate
PubChem CID172865997
Molecular FormulaC12H35NO4
Molecular Weight257.41 g/mol
Exact Mass257.26
IUPAC NameN,N-dibutylbutan-1-amine;tetrahydrate
SMILESCCCCN(CCCC)CCCC.O.O.O.O
InChIInChI=1S/C12H27N.4H2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;;;;/h4-12H2,1-3H3;4*1H2
InChIKeyZZRARLSEUKUVIQ-UHFFFAOYSA-N
XLogP0.39
TPSA129.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutylpentadecan-1-amine
CID 4175227
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;tetrahydrate?
The IUPAC name of N,N-dibutylbutan-1-amine;tetrahydrate (CID 172865997) is N,N-dibutylbutan-1-amine;tetrahydrate.
What is the SMILES notation for N,N-dibutylbutan-1-amine;tetrahydrate?
The canonical SMILES for N,N-dibutylbutan-1-amine;tetrahydrate is CCCCN(CCCC)CCCC.O.O.O.O.
What is the InChIKey of N,N-dibutylbutan-1-amine;tetrahydrate?
The InChIKey is ZZRARLSEUKUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.4H2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;;;;/h4-12H2,1-3H3;4*1H2.
What are the key properties of N,N-dibutylbutan-1-amine;tetrahydrate?
N,N-dibutylbutan-1-amine;tetrahydrate has a molecular weight of 257.41 g/mol, XLogP of 0.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;tetrahydrate is sourced from PubChem (CID 172865997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).