1-ethoxynonan-4-amine

C11H25NO — CID 105129941

IUPAC1-ethoxynonan-4-amine
SMILESCCCCCC(N)CCCOCC
InChIInChI=1S/C11H25NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h11H,3-10,12H2,1-2H3
InChIKeyYAWANMARRKOHEE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.71
Rot. Bonds9

About 1-ethoxynonan-4-amine

1-ethoxynonan-4-amine (PubChem CID 105129941) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-ethoxynonan-4-amine.

Molecular Properties

Compound Name1-ethoxynonan-4-amine
PubChem CID105129941
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-ethoxynonan-4-amine
SMILESCCCCCC(N)CCCOCC
InChIInChI=1S/C11H25NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h11H,3-10,12H2,1-2H3
InChIKeyYAWANMARRKOHEE-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.71
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

1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1,4-diethoxydecane
CID 140997951
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
5-octoxypentane-1,2-diamine
CID 20527044
nonadecane-2,14-diamine
CID 89095951
(4R)-tridecan-4-amine
CID 150614684
7-(2-ethoxyethyl)tridecane
CID 130410574

Frequently Asked Questions

What is the IUPAC name of 1-ethoxynonan-4-amine?
The IUPAC name of 1-ethoxynonan-4-amine (CID 105129941) is 1-ethoxynonan-4-amine.
What is the SMILES notation for 1-ethoxynonan-4-amine?
The canonical SMILES for 1-ethoxynonan-4-amine is CCCCCC(N)CCCOCC.
What is the InChIKey of 1-ethoxynonan-4-amine?
The InChIKey is YAWANMARRKOHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 1-ethoxynonan-4-amine?
1-ethoxynonan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxynonan-4-amine is sourced from PubChem (CID 105129941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).