13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate

C27H60N6O2 — CID 145161228

IUPAC13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate
SMILESCCCCC(CCCCCCCCNNN)OC(=O)C(CCCC)CCCCCCCCNNN
InChIInChI=1S/C27H60N6O2/c1-3-5-19-25(20-15-11-7-9-13-17-23-30-32-28)27(34)35-26(21-6-4-2)22-16-12-8-10-14-18-24-31-33-29/h25-26,30-33H,3-24,28-29H2,1-2H3
InChIKeySFZDGELAPHXGAP-UHFFFAOYSA-N
MW500.82 g/mol
LogP5.29
Rot. Bonds28

About 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate

13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate (PubChem CID 145161228) has the molecular formula C27H60N6O2 and a molecular weight of 500.82 g/mol. Its IUPAC name is 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate.

Molecular Properties

Compound Name13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate
PubChem CID145161228
Molecular FormulaC27H60N6O2
Molecular Weight500.82 g/mol
Exact Mass500.48
IUPAC Name13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate
SMILESCCCCC(CCCCCCCCNNN)OC(=O)C(CCCC)CCCCCCCCNNN
InChIInChI=1S/C27H60N6O2/c1-3-5-19-25(20-15-11-7-9-13-17-23-30-32-28)27(34)35-26(21-6-4-2)22-16-12-8-10-14-18-24-31-33-29/h25-26,30-33H,3-24,28-29H2,1-2H3
InChIKeySFZDGELAPHXGAP-UHFFFAOYSA-N
XLogP5.29
TPSA126.46 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 55.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dodecan-5-yl 2-ethylhexanoate;ethoxyethane
CID 87601702
9-octan-3-yloxycarbonylheptadecanoic acid
CID 87145098
propan-2-yl 2-pentyloctanoate
CID 130235852
pentan-3-yl 2-ethylhexanoate
CID 22213614
pentan-2-yl 2-butyloctanoate
CID 126658986
methyl 2-undecyltridecanoate
CID 176610383
pentadecan-8-yl (2R)-2-aminopropanoate
CID 174065713
2-(2-butyloctanoyloxy)acetic acid
CID 11601324
icosan-9-yl 2-aminopropanoate
CID 18625140
1,1,1,3,3,3-hexafluoropropan-2-yl 2-hexyldecanoate
CID 146607097
nonadecan-5-yl 2-chloropentanoate
CID 172761780
1-phenylethyl 2-butyloctanoate
CID 129279140

Frequently Asked Questions

What is the IUPAC name of 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate?
The IUPAC name of 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate (CID 145161228) is 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate.
What is the SMILES notation for 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate?
The canonical SMILES for 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate is CCCCC(CCCCCCCCNNN)OC(=O)C(CCCC)CCCCCCCCNNN.
What is the InChIKey of 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate?
The InChIKey is SFZDGELAPHXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H60N6O2/c1-3-5-19-25(20-15-11-7-9-13-17-23-30-32-28)27(34)35-26(21-6-4-2)22-16-12-8-10-14-18-24-31-33-29/h25-26,30-33H,3-24,28-29H2,1-2H3.
What are the key properties of 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate?
13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate has a molecular weight of 500.82 g/mol, XLogP of 5.29, 28 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(2-aminohydrazinyl)tridecan-5-yl 10-(2-aminohydrazinyl)-2-butyldecanoate is sourced from PubChem (CID 145161228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).