N-(2-methoxyethyl)-2-propylhexan-1-amine

C12H27NO — CID 62718810

IUPACN-(2-methoxyethyl)-2-propylhexan-1-amine
SMILESCCCCC(CCC)CNCCOC
InChIInChI=1S/C12H27NO/c1-4-6-8-12(7-5-2)11-13-9-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyCNUJLVNLNWTAOL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds10

About N-(2-methoxyethyl)-2-propylhexan-1-amine

N-(2-methoxyethyl)-2-propylhexan-1-amine (PubChem CID 62718810) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-propylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-propylhexan-1-amine
PubChem CID62718810
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(2-methoxyethyl)-2-propylhexan-1-amine
SMILESCCCCC(CCC)CNCCOC
InChIInChI=1S/C12H27NO/c1-4-6-8-12(7-5-2)11-13-9-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyCNUJLVNLNWTAOL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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

2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
N,2-dipropyloctan-1-amine
CID 63497286
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
CID 62718489
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
CID 146606613
N,2-dipropylpentan-1-amine
CID 62530512
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-propylhexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-propylhexan-1-amine (CID 62718810) is N-(2-methoxyethyl)-2-propylhexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-propylhexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-propylhexan-1-amine is CCCCC(CCC)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-propylhexan-1-amine?
The InChIKey is CNUJLVNLNWTAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-8-12(7-5-2)11-13-9-10-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-propylhexan-1-amine?
N-(2-methoxyethyl)-2-propylhexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-propylhexan-1-amine is sourced from PubChem (CID 62718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).