N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine

C15H33NO — CID 114201247

IUPACN-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine
SMILESCOCCNCC(CC(C)CC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-12(2)9-14(5)10-15(13(3)4)11-16-7-8-17-6/h12-16H,7-11H2,1-6H3
InChIKeyYTQHXFDFAXBDNV-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.57
Rot. Bonds10

About N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine

N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine (PubChem CID 114201247) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine
PubChem CID114201247
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine
SMILESCOCCNCC(CC(C)CC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-12(2)9-14(5)10-15(13(3)4)11-16-7-8-17-6/h12-16H,7-11H2,1-6H3
InChIKeyYTQHXFDFAXBDNV-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N-(2-methoxyethyl)-4-methyl-2-(trimethylsilylmethyl)pentan-1-amine
CID 106323555
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
N-(2-methoxyethyl)-2,4,6-trimethyl-2-propan-2-ylheptan-1-amine
CID 114201279
N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
CID 107757359
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138623
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875
N-(2-methoxyethyl)-2-propan-2-yloxypropan-1-amine
CID 62567498

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine (CID 114201247) is N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine is COCCNCC(CC(C)CC(C)C)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine?
The InChIKey is YTQHXFDFAXBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-12(2)9-14(5)10-15(13(3)4)11-16-7-8-17-6/h12-16H,7-11H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine?
N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine is sourced from PubChem (CID 114201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).