2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine

C16H35NO — CID 139968873

IUPAC2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCC(CN)(COC)CC(C)C
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-16(13-17,14-18-4)12-15(2)3/h15H,5-14,17H2,1-4H3
InChIKeyLFIYGGVHJJQDGP-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.37
Rot. Bonds12

About 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine

2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine (PubChem CID 139968873) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
PubChem CID139968873
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCC(CN)(COC)CC(C)C
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-16(13-17,14-18-4)12-15(2)3/h15H,5-14,17H2,1-4H3
InChIKeyLFIYGGVHJJQDGP-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.37
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-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
4,4-bis(ethenoxymethyl)-2-methyltridecane
CID 126727076
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871
N,N,2-triethyl-2-(methoxymethyl)decan-1-amine
CID 139968832
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine?
The IUPAC name of 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine (CID 139968873) is 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine is CCCCCCCCC(CN)(COC)CC(C)C.
What is the InChIKey of 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine?
The InChIKey is LFIYGGVHJJQDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-6-7-8-9-10-11-16(13-17,14-18-4)12-15(2)3/h15H,5-14,17H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine?
2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine is sourced from PubChem (CID 139968873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).