1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine

C8H17NO2 — CID 131223094

IUPAC1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine
SMILESCC(C)ONCC1(C)COC1
InChIInChI=1S/C8H17NO2/c1-7(2)11-9-4-8(3)5-10-6-8/h7,9H,4-6H2,1-3H3
InChIKeyKYGRBCBJGRNJQE-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.95
Rot. Bonds4

About 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine

1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine (PubChem CID 131223094) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine.

Molecular Properties

Compound Name1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine
PubChem CID131223094
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine
SMILESCC(C)ONCC1(C)COC1
InChIInChI=1S/C8H17NO2/c1-7(2)11-9-4-8(3)5-10-6-8/h7,9H,4-6H2,1-3H3
InChIKeyKYGRBCBJGRNJQE-UHFFFAOYSA-N
XLogP0.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-propan-2-yloxypropan-1-amine
CID 123702172
[3-(Propan-2-yloxymethyl)oxetan-3-yl]methanamine
CID 130278956
N-methoxy-1-(3-methyloxetan-3-yl)methanamine
CID 64973763
N-ethoxy-1-(3-methyloxetan-3-yl)methanamine
CID 64974379
1-(3-methyloxetan-3-yl)-N-(2-methylpropoxy)methanamine
CID 82714954
N-(2-methoxyethoxy)-1-(3-methyloxetan-3-yl)methanamine
CID 82722399
1-(3-methyloxetan-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724317
N-cyclopentyloxy-1-(3-methyloxetan-3-yl)methanamine
CID 83229798
N-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
N-[(3-methyloxetan-3-yl)methyl]hydroxylamine
CID 107236061

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine?
The IUPAC name of 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine (CID 131223094) is 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine.
What is the SMILES notation for 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine?
The canonical SMILES for 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine is CC(C)ONCC1(C)COC1.
What is the InChIKey of 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine?
The InChIKey is KYGRBCBJGRNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)11-9-4-8(3)5-10-6-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine?
1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxetan-3-yl)-N-propan-2-yloxymethanamine is sourced from PubChem (CID 131223094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).