N-butylbutan-1-amine;hydron

C8H20N+ — CID 174710116

IUPACN-butylbutan-1-amine;hydron
SMILESCCCCNCCCC.[H+]
InChIInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1
InChIKeyJQVDAXLFBXTEQA-UHFFFAOYSA-O
MW130.25 g/mol
LogP2.29
Rot. Bonds6

About N-butylbutan-1-amine;hydron

N-butylbutan-1-amine;hydron (PubChem CID 174710116) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is N-butylbutan-1-amine;hydron.

Molecular Properties

Compound NameN-butylbutan-1-amine;hydron
PubChem CID174710116
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC NameN-butylbutan-1-amine;hydron
SMILESCCCCNCCCC.[H+]
InChIInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1
InChIKeyJQVDAXLFBXTEQA-UHFFFAOYSA-O
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butylbutan-1-amine;hydron 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

Spermidine
CID 1102
Spermine
CID 1103
Dibutylamine
CID 8148
Dipropylamine
CID 8902
N1,N4-Bis(4-(ethylamino)butyl)-1,4-butanediamine
CID 60702
Dipentylamine
CID 16316
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
Butylethylamine
CID 25914
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N-Methylbutylamine
CID 8068
Dimethyldipropylenetriamine
CID 82728
Dihexylamine
CID 8920

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;hydron?
The IUPAC name of N-butylbutan-1-amine;hydron (CID 174710116) is N-butylbutan-1-amine;hydron.
What is the SMILES notation for N-butylbutan-1-amine;hydron?
The canonical SMILES for N-butylbutan-1-amine;hydron is CCCCNCCCC.[H+].
What is the InChIKey of N-butylbutan-1-amine;hydron?
The InChIKey is JQVDAXLFBXTEQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1.
What are the key properties of N-butylbutan-1-amine;hydron?
N-butylbutan-1-amine;hydron has a molecular weight of 130.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;hydron is sourced from PubChem (CID 174710116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).