(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine

C15H33NO — CID 118890289

IUPAC(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine
SMILESCCC[C@H](CCCCNCC(C)(C)C)COC
InChIInChI=1S/C15H33NO/c1-6-9-14(12-17-5)10-7-8-11-16-13-15(2,3)4/h14,16H,6-13H2,1-5H3/t14-/m1/s1
InChIKeyZFVRVFKABZALMX-CQSZACIVSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds10

About (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine

(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine (PubChem CID 118890289) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine.

Molecular Properties

Compound Name(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine
PubChem CID118890289
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine
SMILESCCC[C@H](CCCCNCC(C)(C)C)COC
InChIInChI=1S/C15H33NO/c1-6-9-14(12-17-5)10-7-8-11-16-13-15(2,3)4/h14,16H,6-13H2,1-5H3/t14-/m1/s1
InChIKeyZFVRVFKABZALMX-CQSZACIVSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
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-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
(8R)-8-(methoxymethyl)-2-methylundecane
CID 118890150
19-(methoxymethyl)heptatriacontane
CID 59499210
5-(methoxymethyl)decane
CID 123387036
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
CID 118887577
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
2-[3-(2,2-dimethylpropylamino)propyl]octanenitrile
CID 87865835
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
4-(ethenoxymethyl)nonane
CID 54548682

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine?
The IUPAC name of (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine (CID 118890289) is (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine.
What is the SMILES notation for (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine?
The canonical SMILES for (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine is CCC[C@H](CCCCNCC(C)(C)C)COC.
What is the InChIKey of (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine?
The InChIKey is ZFVRVFKABZALMX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-9-14(12-17-5)10-7-8-11-16-13-15(2,3)4/h14,16H,6-13H2,1-5H3/t14-/m1/s1.
What are the key properties of (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine?
(5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2,2-dimethylpropyl)-5-(methoxymethyl)octan-1-amine is sourced from PubChem (CID 118890289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).