1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine

C13H28N2O — CID 153375971

IUPAC1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCC1(C)CC1.CNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O.C5H10/c1-9-11-8-4-7-10-5-2-3-6-10;1-5(2)3-4-5/h9H,2-8H2,1H3;3-4H2,1-2H3
InChIKeyGEQFHFDOXKTVOH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.43
Rot. Bonds5

About 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine

1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine (PubChem CID 153375971) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine.

Molecular Properties

Compound Name1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
PubChem CID153375971
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCC1(C)CC1.CNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O.C5H10/c1-9-11-8-4-7-10-5-2-3-6-10;1-5(2)3-4-5/h9H,2-8H2,1H3;3-4H2,1-2H3
InChIKeyGEQFHFDOXKTVOH-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.43
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

N-[(1-ethylpyrrolidin-3-yl)methoxy]methanamine
CID 117126707
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
N-cyclopropyloxymethanamine;1-methylpyrrolidine
CID 166533188
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]methanamine
CID 166533410
O-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]hydroxylamine
CID 168995818
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561
[1-[[3-(Methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The IUPAC name of 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine (CID 153375971) is 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine.
What is the SMILES notation for 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The canonical SMILES for 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine is CC1(C)CC1.CNOCCCN1CCCC1.
What is the InChIKey of 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The InChIKey is GEQFHFDOXKTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C5H10/c1-9-11-8-4-7-10-5-2-3-6-10;1-5(2)3-4-5/h9H,2-8H2,1H3;3-4H2,1-2H3.
What are the key properties of 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine?
1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine has a molecular weight of 228.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine is sourced from PubChem (CID 153375971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).