1-amino-2-methyltetradecan-5-one

C15H31NO — CID 116607429

IUPAC1-amino-2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCC(C)CN
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-8-9-10-15(17)12-11-14(2)13-16/h14H,3-13,16H2,1-2H3
InChIKeyUDUFIBQIXHNDJN-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.07
Rot. Bonds12

About 1-amino-2-methyltetradecan-5-one

1-amino-2-methyltetradecan-5-one (PubChem CID 116607429) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-amino-2-methyltetradecan-5-one.

Molecular Properties

Compound Name1-amino-2-methyltetradecan-5-one
PubChem CID116607429
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-amino-2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCC(C)CN
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-8-9-10-15(17)12-11-14(2)13-16/h14H,3-13,16H2,1-2H3
InChIKeyUDUFIBQIXHNDJN-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-methyloctadecan-6-one
CID 116581699
2-methyltetradecan-5-one
CID 19931308
5-methyltridecan-7-one
CID 71413449
2-chlorohexadecan-5-one
CID 174534085
4-methyltetradecan-6-one
CID 12635285
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
2-chlorotetradecan-5-one
CID 174533652
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
12-methylhenicosan-10-one
CID 71761778

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyltetradecan-5-one?
The IUPAC name of 1-amino-2-methyltetradecan-5-one (CID 116607429) is 1-amino-2-methyltetradecan-5-one.
What is the SMILES notation for 1-amino-2-methyltetradecan-5-one?
The canonical SMILES for 1-amino-2-methyltetradecan-5-one is CCCCCCCCCC(=O)CCC(C)CN.
What is the InChIKey of 1-amino-2-methyltetradecan-5-one?
The InChIKey is UDUFIBQIXHNDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-5-6-7-8-9-10-15(17)12-11-14(2)13-16/h14H,3-13,16H2,1-2H3.
What are the key properties of 1-amino-2-methyltetradecan-5-one?
1-amino-2-methyltetradecan-5-one has a molecular weight of 241.42 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyltetradecan-5-one is sourced from PubChem (CID 116607429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).