bis(1-aminobutyl)-bis(butylamino)azanium

C16H40N5+ — CID 146408315

IUPACbis(1-aminobutyl)-bis(butylamino)azanium
SMILESCCCCN[N+](NCCCC)(C(N)CCC)C(N)CCC
InChIInChI=1S/C16H40N5/c1-5-9-13-19-21(15(17)11-7-3,16(18)12-8-4)20-14-10-6-2/h15-16,19-20H,5-14,17-18H2,1-4H3/q+1
InChIKeyZMBPGJXTOXHVBI-UHFFFAOYSA-N
MW302.53 g/mol
LogP2.58
Rot. Bonds14

About bis(1-aminobutyl)-bis(butylamino)azanium

bis(1-aminobutyl)-bis(butylamino)azanium (PubChem CID 146408315) has the molecular formula C16H40N5+ and a molecular weight of 302.53 g/mol. Its IUPAC name is bis(1-aminobutyl)-bis(butylamino)azanium.

Molecular Properties

Compound Namebis(1-aminobutyl)-bis(butylamino)azanium
PubChem CID146408315
Molecular FormulaC16H40N5+
Molecular Weight302.53 g/mol
Exact Mass302.33
IUPAC Namebis(1-aminobutyl)-bis(butylamino)azanium
SMILESCCCCN[N+](NCCCC)(C(N)CCC)C(N)CCC
InChIInChI=1S/C16H40N5/c1-5-9-13-19-21(15(17)11-7-3,16(18)12-8-4)20-14-10-6-2/h15-16,19-20H,5-14,17-18H2,1-4H3/q+1
InChIKeyZMBPGJXTOXHVBI-UHFFFAOYSA-N
XLogP2.58
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Butylamino-3-propylamino-3-propylamine
CID 54118560
N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine
CID 57031321
8-Propyl-1,2,7,9-tetrazacyclotridecane-3,6-diamine;dihydrochloride
CID 66995276
1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine
CID 87650281
1-(2,2-dimethylhydrazinyl)-N-propylpropan-1-amine
CID 87963963
1-[2-(dimethylamino)-2-propylhydrazinyl]-N-propylpropan-1-amine
CID 88287911
N-[1-[methylamino(propyl)amino]propyl]butan-1-amine
CID 88694951
N'-[[(3-aminopropylamino)-methylamino]methyl]butane-1,4-diamine
CID 130344584
1-[butylamino(methylaminomethyl)amino]-N-ethyl-N"-propan-2-yl-N'-propylmethanetriamine
CID 141071771
1-N',1-N'-diamino-1-N-propylethane-1,1-diamine
CID 141741531
1-N,1-N",1-N"-triethyl-1-N',1-N',3-N-trimethyl-3-[propyl(propylamino)amino]propane-1,1,1,3-tetramine
CID 149729159
1-N'-butyl-1-[diethylamino(methyl)amino]-1-N-methylbutane-1,1-diamine
CID 152012912

Frequently Asked Questions

What is the IUPAC name of bis(1-aminobutyl)-bis(butylamino)azanium?
The IUPAC name of bis(1-aminobutyl)-bis(butylamino)azanium (CID 146408315) is bis(1-aminobutyl)-bis(butylamino)azanium.
What is the SMILES notation for bis(1-aminobutyl)-bis(butylamino)azanium?
The canonical SMILES for bis(1-aminobutyl)-bis(butylamino)azanium is CCCCN[N+](NCCCC)(C(N)CCC)C(N)CCC.
What is the InChIKey of bis(1-aminobutyl)-bis(butylamino)azanium?
The InChIKey is ZMBPGJXTOXHVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N5/c1-5-9-13-19-21(15(17)11-7-3,16(18)12-8-4)20-14-10-6-2/h15-16,19-20H,5-14,17-18H2,1-4H3/q+1.
What are the key properties of bis(1-aminobutyl)-bis(butylamino)azanium?
bis(1-aminobutyl)-bis(butylamino)azanium has a molecular weight of 302.53 g/mol, XLogP of 2.58, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-aminobutyl)-bis(butylamino)azanium is sourced from PubChem (CID 146408315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).