1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine

C50H104N2 — CID 152588936

IUPAC1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C50H104N2/c1-6-11-16-21-26-31-36-41-46-51(47-42-37-32-27-22-17-12-7-2)50(45-40-35-30-25-20-15-10-5)52(48-43-38-33-28-23-18-13-8-3)49-44-39-34-29-24-19-14-9-4/h50H,6-49H2,1-5H3
InChIKeyYVBDJTUHXJKMJM-UHFFFAOYSA-N
MW733.40 g/mol
LogP17.62
Rot. Bonds46

About 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine

1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine (PubChem CID 152588936) has the molecular formula C50H104N2 and a molecular weight of 733.40 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
PubChem CID152588936
Molecular FormulaC50H104N2
Molecular Weight733.40 g/mol
Exact Mass732.82
IUPAC Name1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C50H104N2/c1-6-11-16-21-26-31-36-41-46-51(47-42-37-32-27-22-17-12-7-2)50(45-40-35-30-25-20-15-10-5)52(48-43-38-33-28-23-18-13-8-3)49-44-39-34-29-24-19-14-9-4/h50H,6-49H2,1-5H3
InChIKeyYVBDJTUHXJKMJM-UHFFFAOYSA-N
XLogP17.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds46
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.40
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-[6,6-bis(dioctylamino)hexoxy]-1-N,1-N,1-N',1-N'-tetraoctylhexane-1,1-diamine
CID 173349430
CID 87643366
CID 87643366
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N,N-dibutyltridecan-4-amine
CID 139649762
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
N-octyl-N-(1-phosphanylethyl)octan-1-amine
CID 21437049
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
N-(8-methylnonyl)-N-tetradecyltetradecan-1-amine
CID 139722753
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine (CID 152588936) is 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine is CCCCCCCCCCN(CCCCCCCCCC)C(CCCCCCCCC)N(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine?
The InChIKey is YVBDJTUHXJKMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H104N2/c1-6-11-16-21-26-31-36-41-46-51(47-42-37-32-27-22-17-12-7-2)50(45-40-35-30-25-20-15-10-5)52(48-43-38-33-28-23-18-13-8-3)49-44-39-34-29-24-19-14-9-4/h50H,6-49H2,1-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine has a molecular weight of 733.40 g/mol, XLogP of 17.62, 46 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine is sourced from PubChem (CID 152588936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).