15-amino-16-methyltriacontane-14,17-dione

C31H61NO2 — CID 175604628

IUPAC15-amino-16-methyltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)C(C)C(N)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C31H61NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(33)28(3)31(32)30(34)27-25-23-21-19-17-15-13-11-9-7-5-2/h28,31H,4-27,32H2,1-3H3
InChIKeyYTZCDHVNQDNHFW-UHFFFAOYSA-N
MW479.83 g/mol
LogP9.49
Rot. Bonds27

About 15-amino-16-methyltriacontane-14,17-dione

15-amino-16-methyltriacontane-14,17-dione (PubChem CID 175604628) has the molecular formula C31H61NO2 and a molecular weight of 479.83 g/mol. Its IUPAC name is 15-amino-16-methyltriacontane-14,17-dione.

Molecular Properties

Compound Name15-amino-16-methyltriacontane-14,17-dione
PubChem CID175604628
Molecular FormulaC31H61NO2
Molecular Weight479.83 g/mol
Exact Mass479.47
IUPAC Name15-amino-16-methyltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)C(C)C(N)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C31H61NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(33)28(3)31(32)30(34)27-25-23-21-19-17-15-13-11-9-7-5-2/h28,31H,4-27,32H2,1-3H3
InChIKeyYTZCDHVNQDNHFW-UHFFFAOYSA-N
XLogP9.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.83
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 116612115
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CID 174010260
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
CID 87974020
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
4-amino-2-methyltetradecan-5-one
CID 116553430
4-amino-5-oxo-3-tetradecanoyloctadecanamide
CID 175156967
2-hydroxyicosan-3-one
CID 57023276
2-methyl-3-oxooctadecanamide
CID 141179225
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
2-amino-1-hydroxyoctadecan-3-one
CID 631

Frequently Asked Questions

What is the IUPAC name of 15-amino-16-methyltriacontane-14,17-dione?
The IUPAC name of 15-amino-16-methyltriacontane-14,17-dione (CID 175604628) is 15-amino-16-methyltriacontane-14,17-dione.
What is the SMILES notation for 15-amino-16-methyltriacontane-14,17-dione?
The canonical SMILES for 15-amino-16-methyltriacontane-14,17-dione is CCCCCCCCCCCCCC(=O)C(C)C(N)C(=O)CCCCCCCCCCCCC.
What is the InChIKey of 15-amino-16-methyltriacontane-14,17-dione?
The InChIKey is YTZCDHVNQDNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(33)28(3)31(32)30(34)27-25-23-21-19-17-15-13-11-9-7-5-2/h28,31H,4-27,32H2,1-3H3.
What are the key properties of 15-amino-16-methyltriacontane-14,17-dione?
15-amino-16-methyltriacontane-14,17-dione has a molecular weight of 479.83 g/mol, XLogP of 9.49, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-16-methyltriacontane-14,17-dione is sourced from PubChem (CID 175604628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).