N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine

C11H25NO — CID 65175065

IUPACN-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
SMILESCCOCCCNCC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-5-13-8-6-7-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyAHHZFLMSLSRYIH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds8

About N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine

N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine (PubChem CID 65175065) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
PubChem CID65175065
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
SMILESCCOCCCNCC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-5-13-8-6-7-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyAHHZFLMSLSRYIH-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-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
1-(3-ethoxypropylamino)-4-methylpentan-2-ol
CID 107152558
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine (CID 65175065) is N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine is CCOCCCNCC(C)C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine?
The InChIKey is AHHZFLMSLSRYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-13-8-6-7-12-9-11(4)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine?
N-(3-ethoxypropyl)-2,3-dimethylbutan-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 N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 65175065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).