N-methyl-N-pentan-3-yloxyethanamine

C8H19NO — CID 87525249

IUPACN-methyl-N-pentan-3-yloxyethanamine
SMILESCCC(CC)ON(C)CC
InChIInChI=1S/C8H19NO/c1-5-8(6-2)10-9(4)7-3/h8H,5-7H2,1-4H3
InChIKeyZVLRSZLUZWEOGX-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-pentan-3-yloxyethanamine

N-methyl-N-pentan-3-yloxyethanamine (PubChem CID 87525249) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-methyl-N-pentan-3-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-N-pentan-3-yloxyethanamine
PubChem CID87525249
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-methyl-N-pentan-3-yloxyethanamine
SMILESCCC(CC)ON(C)CC
InChIInChI=1S/C8H19NO/c1-5-8(6-2)10-9(4)7-3/h8H,5-7H2,1-4H3
InChIKeyZVLRSZLUZWEOGX-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)heptane
CID 162428896
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
N-ethyl-3-methoxy-N-methylpentan-1-amine
CID 91026539
3,6-di(propan-2-yloxy)octane
CID 175258426
CID 22295533
CID 22295533
CID 22213238
CID 22213238
oxo-di(pentan-3-yloxy)silane
CID 87452007
N,N-dimethyl-2-pentan-3-yloxypropan-1-amine
CID 126707201
bis[1-(dimethylamino)butan-2-yloxy]tin
CID 162705025
3-hydroperoxyoctane
CID 22268892
3-propoxyheptane
CID 91289422

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-3-yloxyethanamine?
The IUPAC name of N-methyl-N-pentan-3-yloxyethanamine (CID 87525249) is N-methyl-N-pentan-3-yloxyethanamine.
What is the SMILES notation for N-methyl-N-pentan-3-yloxyethanamine?
The canonical SMILES for N-methyl-N-pentan-3-yloxyethanamine is CCC(CC)ON(C)CC.
What is the InChIKey of N-methyl-N-pentan-3-yloxyethanamine?
The InChIKey is ZVLRSZLUZWEOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-8(6-2)10-9(4)7-3/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-pentan-3-yloxyethanamine?
N-methyl-N-pentan-3-yloxyethanamine has a molecular weight of 145.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-3-yloxyethanamine is sourced from PubChem (CID 87525249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).