N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine

C14H31NO — CID 62718638

IUPACN-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCOCCNCC(CCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-7-14(10-13(3)4)11-15-8-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyVEGBWBRCYRJXFE-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.32
Rot. Bonds10

About N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine

N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine (PubChem CID 62718638) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
PubChem CID62718638
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCOCCNCC(CCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-7-14(10-13(3)4)11-15-8-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyVEGBWBRCYRJXFE-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
N-(2-methoxyethyl)-4-methyl-2-(trimethylsilylmethyl)pentan-1-amine
CID 106323555
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014550
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-(2-methoxyethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62528511
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine
CID 114201247
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine (CID 62718638) is N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine is COCCNCC(CCC(C)C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine?
The InChIKey is VEGBWBRCYRJXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)6-7-14(10-13(3)4)11-15-8-9-16-5/h12-15H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine?
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 62718638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).