N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine

C11H22N2O — CID 79677745

IUPACN-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
SMILESCNCCCN1CC2(CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-5-2-6-13-9-11(10-13)3-7-14-8-4-11/h12H,2-10H2,1H3
InChIKeyWPDHDUROZJNNCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds4

About N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine

N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine (PubChem CID 79677745) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
PubChem CID79677745
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine
SMILESCNCCCN1CC2(CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-5-2-6-13-9-11(10-13)3-7-14-8-4-11/h12H,2-10H2,1H3
InChIKeyWPDHDUROZJNNCK-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexan-1-ol
CID 107849721
N-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743494
2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
CID 106159274
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303
N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine
CID 115306837
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
CID 171514883
4,4-dimethyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
CID 106146100
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
2-butyl-2-azaspiro[3.3]heptane
CID 170365296

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine (CID 79677745) is N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine is CNCCCN1CC2(CCOCC2)C1.
What is the InChIKey of N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
The InChIKey is WPDHDUROZJNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-5-2-6-13-9-11(10-13)3-7-14-8-4-11/h12H,2-10H2,1H3.
What are the key properties of N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine?
N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-amine is sourced from PubChem (CID 79677745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).