2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine

C11H25NO — CID 62528504

IUPAC2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
SMILESCCOCCC(CNC)CC(C)C
InChIInChI=1S/C11H25NO/c1-5-13-7-6-11(9-12-4)8-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyRNXOQSOCPNBICE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds8

About 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine

2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine (PubChem CID 62528504) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
PubChem CID62528504
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
SMILESCCOCCC(CNC)CC(C)C
InChIInChI=1S/C11H25NO/c1-5-13-7-6-11(9-12-4)8-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyRNXOQSOCPNBICE-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
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,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508
N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456556
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
CID 106729640
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
CID 54377371
N-methyl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62528925

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine (CID 62528504) is 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine is CCOCCC(CNC)CC(C)C.
What is the InChIKey of 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is RNXOQSOCPNBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-13-7-6-11(9-12-4)8-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine?
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 62528504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).