N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine

C9H20N2O — CID 117126708

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine
SMILESCNOCC1CCN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-5-4-9(6-11)7-12-10-3/h8-10H,4-7H2,1-3H3
InChIKeyIVBLNIDEHWBTBG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.87
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine

N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine (PubChem CID 117126708) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine
PubChem CID117126708
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine
SMILESCNOCC1CCN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-5-4-9(6-11)7-12-10-3/h8-10H,4-7H2,1-3H3
InChIKeyIVBLNIDEHWBTBG-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
CID 117126707
N-[(1-ethylpyrrolidin-3-yl)methoxy]-2-methylpropan-2-amine
CID 118333568
N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
CID 137474492
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]methanamine
CID 166533410
Ethane;methanamine;3-(methoxymethyl)-1-methylpyrrolidine
CID 172354225
N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61313425
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybutan-2-amine
CID 61870468
4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]butan-2-amine
CID 61870470
4-Methoxy-2-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61872155
4-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butan-2-amine
CID 61873142
N'-methyl-N-(oxolan-3-ylmethyl)-N'-propan-2-ylbutane-1,4-diamine
CID 61964397
[1-(4-Methoxybutan-2-yl)pyrrolidin-3-yl]methanamine
CID 62068213

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine (CID 117126708) is N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine is CNOCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine?
The InChIKey is IVBLNIDEHWBTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11-5-4-9(6-11)7-12-10-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]methanamine is sourced from PubChem (CID 117126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).