3-ethylpentan-2-yloxymethanamine

C8H19NO — CID 23136758

IUPAC3-ethylpentan-2-yloxymethanamine
SMILESCCC(CC)C(C)OCN
InChIInChI=1S/C8H19NO/c1-4-8(5-2)7(3)10-6-9/h7-8H,4-6,9H2,1-3H3
InChIKeyVVCJSLKFKBTOQM-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.74
Rot. Bonds5

About 3-ethylpentan-2-yloxymethanamine

3-ethylpentan-2-yloxymethanamine (PubChem CID 23136758) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethylpentan-2-yloxymethanamine.

Molecular Properties

Compound Name3-ethylpentan-2-yloxymethanamine
PubChem CID23136758
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethylpentan-2-yloxymethanamine
SMILESCCC(CC)C(C)OCN
InChIInChI=1S/C8H19NO/c1-4-8(5-2)7(3)10-6-9/h7-8H,4-6,9H2,1-3H3
InChIKeyVVCJSLKFKBTOQM-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethylhexan-2-yloxymethanamine
CID 87396971
3,4-dimethylpentan-2-yloxymethanamine
CID 87675780
2-ethyl-3-methoxybutan-1-amine
CID 88936076
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
3-ethyl-4-methylhexan-1-amine
CID 123538643
(3S,4S)-1-amino-4-ethoxy-3-methylpentan-2-one
CID 89043198
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
3-ethyl-1-propan-2-yloxypentan-2-amine
CID 105013387
3-ethylpentan-2-yl methanesulfonate
CID 91373609
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 79484103

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-2-yloxymethanamine?
The IUPAC name of 3-ethylpentan-2-yloxymethanamine (CID 23136758) is 3-ethylpentan-2-yloxymethanamine.
What is the SMILES notation for 3-ethylpentan-2-yloxymethanamine?
The canonical SMILES for 3-ethylpentan-2-yloxymethanamine is CCC(CC)C(C)OCN.
What is the InChIKey of 3-ethylpentan-2-yloxymethanamine?
The InChIKey is VVCJSLKFKBTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(5-2)7(3)10-6-9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-ethylpentan-2-yloxymethanamine?
3-ethylpentan-2-yloxymethanamine has a molecular weight of 145.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-2-yloxymethanamine is sourced from PubChem (CID 23136758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).