ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine

C10H24N2O — CID 177004561

IUPACethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCC.CNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O.C2H6/c1-9-11-8-4-7-10-5-2-3-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyUOODTRGDKZUSFX-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.65
Rot. Bonds5

About ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine

ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine (PubChem CID 177004561) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine.

Molecular Properties

Compound Nameethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
PubChem CID177004561
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCC.CNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O.C2H6/c1-9-11-8-4-7-10-5-2-3-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyUOODTRGDKZUSFX-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.65
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'}

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Related Compounds

O-[3-(pyrrolidin-1-yl)propyl]hydroxylamine
CID 14880864
1-(3-Methoxypropyl)pyrrolidin-1-ium
CID 59375929
N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 61494297
3-(3-Pyrrolidin-1-ylpropoxy)propan-1-amine
CID 62342815
N-methoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64973731
1-methoxy-N,N-dimethylethanamine;pyrrolidine
CID 91538543
N-(1-ethylpyrrolidin-3-yl)oxymethanamine
CID 117126703
N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
CID 117126707
N-(2-pyrrolidin-1-ylethoxy)methanamine
CID 117126758
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
N-methyl-3-(3-pyrrolidin-1-ylpropoxy)propan-1-amine
CID 118883334
N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
CID 137474492

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The IUPAC name of ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine (CID 177004561) is ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine.
What is the SMILES notation for ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The canonical SMILES for ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine is CC.CNOCCCN1CCCC1.
What is the InChIKey of ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The InChIKey is UOODTRGDKZUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c1-9-11-8-4-7-10-5-2-3-6-10;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine has a molecular weight of 188.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine is sourced from PubChem (CID 177004561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).