N,N-dibutylbutan-1-amine;molecular hydrogen

C12H29N — CID 174513596

IUPACN,N-dibutylbutan-1-amine;molecular hydrogen
SMILESCCCCN(CCCC)CCCC.[H][H]
InChIInChI=1S/C12H27N.H2/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H
InChIKeyZYLLUVHQWOGRBN-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.93
Rot. Bonds9

About N,N-dibutylbutan-1-amine;molecular hydrogen

N,N-dibutylbutan-1-amine;molecular hydrogen (PubChem CID 174513596) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;molecular hydrogen
PubChem CID174513596
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC NameN,N-dibutylbutan-1-amine;molecular hydrogen
SMILESCCCCN(CCCC)CCCC.[H][H]
InChIInChI=1S/C12H27N.H2/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H
InChIKeyZYLLUVHQWOGRBN-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dibutylbutan-1-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
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-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-dibutylpentadecan-1-amine
CID 4175227
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
N,N-dioctyloctan-1-amine
CID 14227

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;molecular hydrogen?
The IUPAC name of N,N-dibutylbutan-1-amine;molecular hydrogen (CID 174513596) is N,N-dibutylbutan-1-amine;molecular hydrogen.
What is the SMILES notation for N,N-dibutylbutan-1-amine;molecular hydrogen?
The canonical SMILES for N,N-dibutylbutan-1-amine;molecular hydrogen is CCCCN(CCCC)CCCC.[H][H].
What is the InChIKey of N,N-dibutylbutan-1-amine;molecular hydrogen?
The InChIKey is ZYLLUVHQWOGRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.H2/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H.
What are the key properties of N,N-dibutylbutan-1-amine;molecular hydrogen?
N,N-dibutylbutan-1-amine;molecular hydrogen has a molecular weight of 187.37 g/mol, XLogP of 3.93, 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;molecular hydrogen is sourced from PubChem (CID 174513596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).