1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine

C28H62N4 — CID 151707623

IUPAC1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NC)C(NC)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C28H62N4/c1-8-13-18-19-20-21-22-27(29-6)28(30-7,31(23-14-9-2)24-15-10-3)32(25-16-11-4)26-17-12-5/h27,29-30H,8-26H2,1-7H3
InChIKeyRFXCMLSBEBJEBJ-UHFFFAOYSA-N
MW454.83 g/mol
LogP7.00
Rot. Bonds24

About 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine

1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine (PubChem CID 151707623) has the molecular formula C28H62N4 and a molecular weight of 454.83 g/mol. Its IUPAC name is 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
PubChem CID151707623
Molecular FormulaC28H62N4
Molecular Weight454.83 g/mol
Exact Mass454.50
IUPAC Name1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
SMILESCCCCCCCCC(NC)C(NC)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C28H62N4/c1-8-13-18-19-20-21-22-27(29-6)28(30-7,31(23-14-9-2)24-15-10-3)32(25-16-11-4)26-17-12-5/h27,29-30H,8-26H2,1-7H3
InChIKeyRFXCMLSBEBJEBJ-UHFFFAOYSA-N
XLogP7.00
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 57.00
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

2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
N,3,3-trimethylhexadecan-4-amine
CID 115846506
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
1-N',1-N"-dicyclopentyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
CID 150472106

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The IUPAC name of 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine (CID 151707623) is 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The canonical SMILES for 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine is CCCCCCCCC(NC)C(NC)(N(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
The InChIKey is RFXCMLSBEBJEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62N4/c1-8-13-18-19-20-21-22-27(29-6)28(30-7,31(23-14-9-2)24-15-10-3)32(25-16-11-4)26-17-12-5/h27,29-30H,8-26H2,1-7H3.
What are the key properties of 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine?
1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine has a molecular weight of 454.83 g/mol, XLogP of 7.00, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine is sourced from PubChem (CID 151707623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).