2-N'-butylethane-1,1,2,2-tetramine

C6H18N4 — CID 175179037

IUPAC2-N'-butylethane-1,1,2,2-tetramine
SMILESCCCCNC(N)C(N)N
InChIInChI=1S/C6H18N4/c1-2-3-4-10-6(9)5(7)8/h5-6,10H,2-4,7-9H2,1H3
InChIKeyLCWRUTCNNAIOQB-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.10
Rot. Bonds5

About 2-N'-butylethane-1,1,2,2-tetramine

2-N'-butylethane-1,1,2,2-tetramine (PubChem CID 175179037) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is 2-N'-butylethane-1,1,2,2-tetramine.

Molecular Properties

Compound Name2-N'-butylethane-1,1,2,2-tetramine
PubChem CID175179037
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name2-N'-butylethane-1,1,2,2-tetramine
SMILESCCCCNC(N)C(N)N
InChIInChI=1S/C6H18N4/c1-2-3-4-10-6(9)5(7)8/h5-6,10H,2-4,7-9H2,1H3
InChIKeyLCWRUTCNNAIOQB-UHFFFAOYSA-N
XLogP-1.10
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.10
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'}

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Related Compounds

1-N'-butylpropane-1,1-diamine
CID 22184083
(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
1-N'-butylprop-2-ene-1,1-diamine
CID 130279895
N"-octylmethanetriamine
CID 139788026
1-N'-pentylethane-1,1-diamine
CID 87708859
butylaminomethanedithiol
CID 25110747
N-propan-2-ylbutan-1-amine chloride
CID 19629099
1-N'-nonylethane-1,1-diamine
CID 141374358
1-N'-decylpropane-1,1-diamine
CID 19822794
(1S)-1-(butylamino)propan-1-ol
CID 153016894
1-N'-decylethane-1,1,2-triamine
CID 57125344
1-(butylamino)ethanol;hydrochloride
CID 20534159

Frequently Asked Questions

What is the IUPAC name of 2-N'-butylethane-1,1,2,2-tetramine?
The IUPAC name of 2-N'-butylethane-1,1,2,2-tetramine (CID 175179037) is 2-N'-butylethane-1,1,2,2-tetramine.
What is the SMILES notation for 2-N'-butylethane-1,1,2,2-tetramine?
The canonical SMILES for 2-N'-butylethane-1,1,2,2-tetramine is CCCCNC(N)C(N)N.
What is the InChIKey of 2-N'-butylethane-1,1,2,2-tetramine?
The InChIKey is LCWRUTCNNAIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-2-3-4-10-6(9)5(7)8/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 2-N'-butylethane-1,1,2,2-tetramine?
2-N'-butylethane-1,1,2,2-tetramine has a molecular weight of 146.24 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-butylethane-1,1,2,2-tetramine is sourced from PubChem (CID 175179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).