2-(2-methylnonan-3-yloxy)ethanamine

C12H27NO — CID 150049308

IUPAC2-(2-methylnonan-3-yloxy)ethanamine
SMILESCCCCCCC(OCCN)C(C)C
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-12(11(2)3)14-10-9-13/h11-12H,4-10,13H2,1-3H3
InChIKeyDKYUPEJDORNSQY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds9

About 2-(2-methylnonan-3-yloxy)ethanamine

2-(2-methylnonan-3-yloxy)ethanamine (PubChem CID 150049308) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(2-methylnonan-3-yloxy)ethanamine.

Molecular Properties

Compound Name2-(2-methylnonan-3-yloxy)ethanamine
PubChem CID150049308
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(2-methylnonan-3-yloxy)ethanamine
SMILESCCCCCCC(OCCN)C(C)C
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-12(11(2)3)14-10-9-13/h11-12H,4-10,13H2,1-3H3
InChIKeyDKYUPEJDORNSQY-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 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 ≤ 52.96
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-octan-2-yloxyethanamine
CID 43127313
3-ethoxy-2-methyldodecane
CID 78302637
2-dodecan-5-yloxyethanamine
CID 18672808
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
CID 174884857
2,3-dimethylpentadecan-1-amine
CID 81010439
(3S)-3-ethoxy-2-methylheptane
CID 3086090
1-(2-propoxyundecan-3-yloxy)dodecane
CID 91370183
1-(3-propoxyundecan-2-yloxy)dodecane
CID 91553470
2-aminoethyl [(2S)-1-hydroxy-2-pentoxyoctan-3-yl] hydrogen phosphate
CID 87151483
2-methylnonan-3-yl propyl carbonate
CID 129131693
4-tetradecoxyhexane-1,3-diamine
CID 22385509

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnonan-3-yloxy)ethanamine?
The IUPAC name of 2-(2-methylnonan-3-yloxy)ethanamine (CID 150049308) is 2-(2-methylnonan-3-yloxy)ethanamine.
What is the SMILES notation for 2-(2-methylnonan-3-yloxy)ethanamine?
The canonical SMILES for 2-(2-methylnonan-3-yloxy)ethanamine is CCCCCCC(OCCN)C(C)C.
What is the InChIKey of 2-(2-methylnonan-3-yloxy)ethanamine?
The InChIKey is DKYUPEJDORNSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-5-6-7-8-12(11(2)3)14-10-9-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-(2-methylnonan-3-yloxy)ethanamine?
2-(2-methylnonan-3-yloxy)ethanamine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnonan-3-yloxy)ethanamine is sourced from PubChem (CID 150049308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).