N-ethyl-3-methoxynonan-4-amine

C12H27NO — CID 116715626

IUPACN-ethyl-3-methoxynonan-4-amine
SMILESCCCCCC(NCC)C(CC)OC
InChIInChI=1S/C12H27NO/c1-5-8-9-10-11(13-7-3)12(6-2)14-4/h11-13H,5-10H2,1-4H3
InChIKeyUTQHXWDSMCEDRV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About N-ethyl-3-methoxynonan-4-amine

N-ethyl-3-methoxynonan-4-amine (PubChem CID 116715626) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-3-methoxynonan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxynonan-4-amine
PubChem CID116715626
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-3-methoxynonan-4-amine
SMILESCCCCCC(NCC)C(CC)OC
InChIInChI=1S/C12H27NO/c1-5-8-9-10-11(13-7-3)12(6-2)14-4/h11-13H,5-10H2,1-4H3
InChIKeyUTQHXWDSMCEDRV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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-ethyl-4-methoxyundecan-5-amine
CID 116719102
N-ethyl-4-methoxydodecan-5-amine
CID 116719103
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
N-ethyl-3-methoxyoct-7-yn-4-amine
CID 116715754
N,6-diethyl-3-methoxyoctan-4-amine
CID 116715848
N-ethyl-5-methoxy-2-methylheptan-4-amine
CID 116715625
4-methoxy-N-methyldecan-5-amine
CID 116718740
N,5-diethylpentadecan-6-amine
CID 115831438
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
N-ethyl-5-methyltridecan-6-amine
CID 114246331
N-ethyl-2,3-dimethylundecan-4-amine
CID 115832523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxynonan-4-amine?
The IUPAC name of N-ethyl-3-methoxynonan-4-amine (CID 116715626) is N-ethyl-3-methoxynonan-4-amine.
What is the SMILES notation for N-ethyl-3-methoxynonan-4-amine?
The canonical SMILES for N-ethyl-3-methoxynonan-4-amine is CCCCCC(NCC)C(CC)OC.
What is the InChIKey of N-ethyl-3-methoxynonan-4-amine?
The InChIKey is UTQHXWDSMCEDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-9-10-11(13-7-3)12(6-2)14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-methoxynonan-4-amine?
N-ethyl-3-methoxynonan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxynonan-4-amine is sourced from PubChem (CID 116715626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).