tritriacontane-16,17-diamine

C33H70N2 — CID 57106039

IUPACtritriacontane-16,17-diamine
SMILESCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCC
InChIInChI=1S/C33H70N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33H,3-31,34-35H2,1-2H3
InChIKeyHESZKAFEDILWGA-UHFFFAOYSA-N
MW494.94 g/mol
LogP10.99
Rot. Bonds30

About tritriacontane-16,17-diamine

tritriacontane-16,17-diamine (PubChem CID 57106039) has the molecular formula C33H70N2 and a molecular weight of 494.94 g/mol. Its IUPAC name is tritriacontane-16,17-diamine.

Molecular Properties

Compound Nametritriacontane-16,17-diamine
PubChem CID57106039
Molecular FormulaC33H70N2
Molecular Weight494.94 g/mol
Exact Mass494.55
IUPAC Nametritriacontane-16,17-diamine
SMILESCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCC
InChIInChI=1S/C33H70N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33H,3-31,34-35H2,1-2H3
InChIKeyHESZKAFEDILWGA-UHFFFAOYSA-N
XLogP10.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.94
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexadecane-6,7-diamine
CID 57245820
hexatriacontane-18,19-diamine
CID 57054547
hexadecane-4,5-diamine
CID 57310882
nonane-1,3,4-triamine
CID 140867802
(3R)-2-methylundecan-3-amine
CID 167260316
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1,1-difluorodecan-2-amine
CID 103516493
3-aminoicosan-2-ol
CID 19964089
4-methyltetradecan-5-amine
CID 115831509
3-methyldecan-4-amine
CID 63719252
2-aminopentadecane-1,1-diol;hydrochloride
CID 173417689

Frequently Asked Questions

What is the IUPAC name of tritriacontane-16,17-diamine?
The IUPAC name of tritriacontane-16,17-diamine (CID 57106039) is tritriacontane-16,17-diamine.
What is the SMILES notation for tritriacontane-16,17-diamine?
The canonical SMILES for tritriacontane-16,17-diamine is CCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCC.
What is the InChIKey of tritriacontane-16,17-diamine?
The InChIKey is HESZKAFEDILWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33H,3-31,34-35H2,1-2H3.
What are the key properties of tritriacontane-16,17-diamine?
tritriacontane-16,17-diamine has a molecular weight of 494.94 g/mol, XLogP of 10.99, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritriacontane-16,17-diamine is sourced from PubChem (CID 57106039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).