3-methoxy-N,3-dimethylundecan-4-amine

C14H31NO — CID 116757603

IUPAC3-methoxy-N,3-dimethylundecan-4-amine
SMILESCCCCCCCC(NC)C(C)(CC)OC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-4)14(3,7-2)16-5/h13,15H,6-12H2,1-5H3
InChIKeyAJEMYYTXSRUMFP-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds10

About 3-methoxy-N,3-dimethylundecan-4-amine

3-methoxy-N,3-dimethylundecan-4-amine (PubChem CID 116757603) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethylundecan-4-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethylundecan-4-amine
PubChem CID116757603
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-methoxy-N,3-dimethylundecan-4-amine
SMILESCCCCCCCC(NC)C(C)(CC)OC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-4)14(3,7-2)16-5/h13,15H,6-12H2,1-5H3
InChIKeyAJEMYYTXSRUMFP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[1-(2,2-difluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 82007343
N-[[1-(4,4,4-trifluorobutoxy)cycloheptyl]methyl]propan-2-amine
CID 82792612
N-[[1-(3,3,3-trifluoropropoxy)cycloheptyl]methyl]propan-2-amine
CID 82956771
5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine
CID 104610945
N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclopentyl)pentan-1-amine
CID 104611213
5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-propylpentan-1-amine
CID 104611448
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 113327167
3-ethoxy-8,8,8-trifluoro-N,3-dimethyloctan-4-amine
CID 113561323
3-ethoxy-N-ethyl-8,8,8-trifluoro-3-methyloctan-4-amine
CID 113561362
N,3-diethyl-8,8,8-trifluoro-3-methoxyoctan-4-amine
CID 113561601

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethylundecan-4-amine?
The IUPAC name of 3-methoxy-N,3-dimethylundecan-4-amine (CID 116757603) is 3-methoxy-N,3-dimethylundecan-4-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethylundecan-4-amine?
The canonical SMILES for 3-methoxy-N,3-dimethylundecan-4-amine is CCCCCCCC(NC)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-N,3-dimethylundecan-4-amine?
The InChIKey is AJEMYYTXSRUMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-4)14(3,7-2)16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 3-methoxy-N,3-dimethylundecan-4-amine?
3-methoxy-N,3-dimethylundecan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethylundecan-4-amine is sourced from PubChem (CID 116757603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).