2-butyl-2-(methoxymethyl)octan-1-amine

C14H31NO — CID 139927583

IUPAC2-butyl-2-(methoxymethyl)octan-1-amine
SMILESCCCCCCC(CN)(CCCC)COC
InChIInChI=1S/C14H31NO/c1-4-6-8-9-11-14(12-15,13-16-3)10-7-5-2/h4-13,15H2,1-3H3
InChIKeySQCPNSDKDKABOM-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.74
Rot. Bonds11

About 2-butyl-2-(methoxymethyl)octan-1-amine

2-butyl-2-(methoxymethyl)octan-1-amine (PubChem CID 139927583) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-butyl-2-(methoxymethyl)octan-1-amine.

Molecular Properties

Compound Name2-butyl-2-(methoxymethyl)octan-1-amine
PubChem CID139927583
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-butyl-2-(methoxymethyl)octan-1-amine
SMILESCCCCCCC(CN)(CCCC)COC
InChIInChI=1S/C14H31NO/c1-4-6-8-9-11-14(12-15,13-16-3)10-7-5-2/h4-13,15H2,1-3H3
InChIKeySQCPNSDKDKABOM-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butyl-2-(methoxymethyl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-Methoxyethyl)cyclopentyl]methanamine
CID 62723492
[1-(2-Ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-Methyl-2-(oxan-2-yl)propan-1-amine
CID 71756037
1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
2-Aminomethyl-2-octyldecan-1-ol
CID 102474353
10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
14-Ethoxy-13,13-dimethyltetradecan-1-amine
CID 111508
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(methoxymethyl)octan-1-amine?
The IUPAC name of 2-butyl-2-(methoxymethyl)octan-1-amine (CID 139927583) is 2-butyl-2-(methoxymethyl)octan-1-amine.
What is the SMILES notation for 2-butyl-2-(methoxymethyl)octan-1-amine?
The canonical SMILES for 2-butyl-2-(methoxymethyl)octan-1-amine is CCCCCCC(CN)(CCCC)COC.
What is the InChIKey of 2-butyl-2-(methoxymethyl)octan-1-amine?
The InChIKey is SQCPNSDKDKABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-6-8-9-11-14(12-15,13-16-3)10-7-5-2/h4-13,15H2,1-3H3.
What are the key properties of 2-butyl-2-(methoxymethyl)octan-1-amine?
2-butyl-2-(methoxymethyl)octan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(methoxymethyl)octan-1-amine is sourced from PubChem (CID 139927583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).