2-methoxy-2-methyltridecan-4-amine

C15H33NO — CID 103025038

IUPAC2-methoxy-2-methyltridecan-4-amine
SMILESCCCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-14(16)13-15(2,3)17-4/h14H,5-13,16H2,1-4H3
InChIKeyMFULQNQZSHASGP-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.27
Rot. Bonds11

About 2-methoxy-2-methyltridecan-4-amine

2-methoxy-2-methyltridecan-4-amine (PubChem CID 103025038) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methoxy-2-methyltridecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyltridecan-4-amine
PubChem CID103025038
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methoxy-2-methyltridecan-4-amine
SMILESCCCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-14(16)13-15(2,3)17-4/h14H,5-13,16H2,1-4H3
InChIKeyMFULQNQZSHASGP-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.27
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

2-Methoxy-2-methylnonan-1-amine
CID 66072171
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-amine
CID 103032393
7-Amino-2-methyloctan-2-ol
CID 23591595
4-Amino-2-methylnonadecan-2-ol
CID 54338746
(4R)-2-methoxy-2-methylheptan-4-amine
CID 59383057
6-Methoxy-6-methylheptan-2-amine
CID 86043672
4-Methoxy-9-methyldecane-4,6-diamine
CID 88069900
1-(2-Ethyloxiran-2-yl)pentan-1-amine
CID 88196460
8-Methoxy-4,8-dimethylnonan-1-amine
CID 88258649
8-(6-Aminohexoxy)-8-methylnonan-1-amine
CID 88529911
13-Methoxy-13-methyltetradecan-1-amine
CID 118461497

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyltridecan-4-amine?
The IUPAC name of 2-methoxy-2-methyltridecan-4-amine (CID 103025038) is 2-methoxy-2-methyltridecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyltridecan-4-amine?
The canonical SMILES for 2-methoxy-2-methyltridecan-4-amine is CCCCCCCCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyltridecan-4-amine?
The InChIKey is MFULQNQZSHASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-14(16)13-15(2,3)17-4/h14H,5-13,16H2,1-4H3.
What are the key properties of 2-methoxy-2-methyltridecan-4-amine?
2-methoxy-2-methyltridecan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyltridecan-4-amine is sourced from PubChem (CID 103025038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).