3,4-dimethylpentan-2-yloxymethanamine

C8H19NO — CID 87675780

IUPAC3,4-dimethylpentan-2-yloxymethanamine
SMILESCC(C)C(C)C(C)OCN
InChIInChI=1S/C8H19NO/c1-6(2)7(3)8(4)10-5-9/h6-8H,5,9H2,1-4H3
InChIKeyIRLHUWJVBVVERL-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.60
Rot. Bonds4

About 3,4-dimethylpentan-2-yloxymethanamine

3,4-dimethylpentan-2-yloxymethanamine (PubChem CID 87675780) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3,4-dimethylpentan-2-yloxymethanamine.

Molecular Properties

Compound Name3,4-dimethylpentan-2-yloxymethanamine
PubChem CID87675780
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3,4-dimethylpentan-2-yloxymethanamine
SMILESCC(C)C(C)C(C)OCN
InChIInChI=1S/C8H19NO/c1-6(2)7(3)8(4)10-5-9/h6-8H,5,9H2,1-4H3
InChIKeyIRLHUWJVBVVERL-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.60
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-ethylpentan-2-yloxymethanamine
CID 23136758
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
3-ethylhexan-2-yloxymethanamine
CID 87396971
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(4S)-2,3,4-trimethylhexane
CID 58359072
2,3-dimethylbutane;ethanamine
CID 130404430
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482563
2-methoxy-3,4,5-trimethylhexane
CID 123147502
2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
CID 126685858
2-ethoxy-3-methylbutan-1-amine
CID 62445436
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpentan-2-yloxymethanamine?
The IUPAC name of 3,4-dimethylpentan-2-yloxymethanamine (CID 87675780) is 3,4-dimethylpentan-2-yloxymethanamine.
What is the SMILES notation for 3,4-dimethylpentan-2-yloxymethanamine?
The canonical SMILES for 3,4-dimethylpentan-2-yloxymethanamine is CC(C)C(C)C(C)OCN.
What is the InChIKey of 3,4-dimethylpentan-2-yloxymethanamine?
The InChIKey is IRLHUWJVBVVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)7(3)8(4)10-5-9/h6-8H,5,9H2,1-4H3.
What are the key properties of 3,4-dimethylpentan-2-yloxymethanamine?
3,4-dimethylpentan-2-yloxymethanamine has a molecular weight of 145.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpentan-2-yloxymethanamine is sourced from PubChem (CID 87675780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).