1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine

C17H42N6 — CID 140999798

IUPAC1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine
SMILESCCCCNN(NC(C)C)C(NCC)(NCCC)C(C)(C)NC
InChIInChI=1S/C17H42N6/c1-9-12-14-21-23(22-15(4)5)17(19-11-3,20-13-10-2)16(6,7)18-8/h15,18-22H,9-14H2,1-8H3
InChIKeyZBUVZBIYQQICRS-UHFFFAOYSA-N
MW330.57 g/mol
LogP1.77
Rot. Bonds14

About 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine

1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine (PubChem CID 140999798) has the molecular formula C17H42N6 and a molecular weight of 330.57 g/mol. Its IUPAC name is 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine
PubChem CID140999798
Molecular FormulaC17H42N6
Molecular Weight330.57 g/mol
Exact Mass330.35
IUPAC Name1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine
SMILESCCCCNN(NC(C)C)C(NCC)(NCCC)C(C)(C)NC
InChIInChI=1S/C17H42N6/c1-9-12-14-21-23(22-15(4)5)17(19-11-3,20-13-10-2)16(6,7)18-8/h15,18-22H,9-14H2,1-8H3
InChIKeyZBUVZBIYQQICRS-UHFFFAOYSA-N
XLogP1.77
TPSA63.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine?
The IUPAC name of 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine (CID 140999798) is 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine?
The canonical SMILES for 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine is CCCCNN(NC(C)C)C(NCC)(NCCC)C(C)(C)NC.
What is the InChIKey of 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine?
The InChIKey is ZBUVZBIYQQICRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N6/c1-9-12-14-21-23(22-15(4)5)17(19-11-3,20-13-10-2)16(6,7)18-8/h15,18-22H,9-14H2,1-8H3.
What are the key properties of 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine?
1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine has a molecular weight of 330.57 g/mol, XLogP of 1.77, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-(butylamino)-1-N-ethyl-2-N,2-dimethyl-1-N"-(propan-2-ylamino)-1-N'-propylpropane-1,1,1,2-tetramine is sourced from PubChem (CID 140999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).