1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine

C10H22N2O — CID 61485081

IUPAC1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
SMILESCC(C)OCCNC1CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-9(2)13-7-5-11-10-4-6-12(3)8-10/h9-11H,4-8H2,1-3H3
InChIKeyAXAIGPKHDSLOLT-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine

1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine (PubChem CID 61485081) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
PubChem CID61485081
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
SMILESCC(C)OCCNC1CCN(C)C1
InChIInChI=1S/C10H22N2O/c1-9(2)13-7-5-11-10-4-6-12(3)8-10/h9-11H,4-8H2,1-3H3
InChIKeyAXAIGPKHDSLOLT-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
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

1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 112698344
1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
CID 104761908
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine (CID 61485081) is 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine is CC(C)OCCNC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
The InChIKey is AXAIGPKHDSLOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)13-7-5-11-10-4-6-12(3)8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine?
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 61485081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).