1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine

C8H13NO2 — CID 131222813

IUPAC1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine
SMILESC#CCONCC1(C)COC1
InChIInChI=1S/C8H13NO2/c1-3-4-11-9-5-8(2)6-10-7-8/h1,9H,4-7H2,2H3
InChIKeyKQGBRZDEJZMDRL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.18
Rot. Bonds4

About 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine

1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine (PubChem CID 131222813) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine.

Molecular Properties

Compound Name1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine
PubChem CID131222813
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine
SMILESC#CCONCC1(C)COC1
InChIInChI=1S/C8H13NO2/c1-3-4-11-9-5-8(2)6-10-7-8/h1,9H,4-7H2,2H3
InChIKeyKQGBRZDEJZMDRL-UHFFFAOYSA-N
XLogP0.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
N-[(3-methyloxetan-3-yl)methyl]hydroxylamine
CID 107236061
2,2-dimethyl-N-prop-2-ynoxypropan-1-amine
CID 130737659

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine?
The IUPAC name of 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine (CID 131222813) is 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine.
What is the SMILES notation for 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine?
The canonical SMILES for 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine is C#CCONCC1(C)COC1.
What is the InChIKey of 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine?
The InChIKey is KQGBRZDEJZMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-11-9-5-8(2)6-10-7-8/h1,9H,4-7H2,2H3.
What are the key properties of 1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine?
1-(3-methyloxetan-3-yl)-N-prop-2-ynoxymethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.18, 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-prop-2-ynoxymethanamine is sourced from PubChem (CID 131222813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).