1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine

C26H58N4 — CID 151565444

IUPAC1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NCC)C(NCC)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C26H58N4/c1-12-15-16-17-18-19-20-25(27-13-2)26(28-14-3,29(21(4)5)22(6)7)30(23(8)9)24(10)11/h21-25,27-28H,12-20H2,1-11H3
InChIKeyQDIIGRQRCBGNHY-UHFFFAOYSA-N
MW426.78 g/mol
LogP6.22
Rot. Bonds18

About 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine

1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine (PubChem CID 151565444) has the molecular formula C26H58N4 and a molecular weight of 426.78 g/mol. Its IUPAC name is 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
PubChem CID151565444
Molecular FormulaC26H58N4
Molecular Weight426.78 g/mol
Exact Mass426.47
IUPAC Name1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NCC)C(NCC)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C26H58N4/c1-12-15-16-17-18-19-20-25(27-13-2)26(28-14-3,29(21(4)5)22(6)7)30(23(8)9)24(10)11/h21-25,27-28H,12-20H2,1-11H3
InChIKeyQDIIGRQRCBGNHY-UHFFFAOYSA-N
XLogP6.22
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.78
LogP ≤ 56.22
H-Bond Donors ≤ 52
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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine?
The IUPAC name of 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine (CID 151565444) is 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine?
The canonical SMILES for 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine is CCCCCCCCC(NCC)C(NCC)(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine?
The InChIKey is QDIIGRQRCBGNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N4/c1-12-15-16-17-18-19-20-25(27-13-2)26(28-14-3,29(21(4)5)22(6)7)30(23(8)9)24(10)11/h21-25,27-28H,12-20H2,1-11H3.
What are the key properties of 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine?
1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine has a molecular weight of 426.78 g/mol, XLogP of 6.22, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine is sourced from PubChem (CID 151565444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).