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

C8H18N2O — CID 117126803

IUPACN-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-9-11-8-4-7-10-5-2-3-6-10/h9H,2-8H2,1H3
InChIKeyFMLLATMGFDUZIR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.62
Rot. Bonds5

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

N-(3-pyrrolidin-1-ylpropoxy)methanamine (PubChem CID 117126803) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropoxy)methanamine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropoxy)methanamine
PubChem CID117126803
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(3-pyrrolidin-1-ylpropoxy)methanamine
SMILESCNOCCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-9-11-8-4-7-10-5-2-3-6-10/h9H,2-8H2,1H3
InChIKeyFMLLATMGFDUZIR-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.62
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-methyl-3-(3-pyrrolidin-1-ylpropoxy)propan-1-amine
CID 118883334
N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
CID 137474492
N-methoxymethanamine;1-methylpyrrolidine
CID 141862598

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropoxy)methanamine (CID 117126803) is N-(3-pyrrolidin-1-ylpropoxy)methanamine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropoxy)methanamine is CNOCCCN1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropoxy)methanamine?
The InChIKey is FMLLATMGFDUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-11-8-4-7-10-5-2-3-6-10/h9H,2-8H2,1H3.
What are the key properties of N-(3-pyrrolidin-1-ylpropoxy)methanamine?
N-(3-pyrrolidin-1-ylpropoxy)methanamine has a molecular weight of 158.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropoxy)methanamine is sourced from PubChem (CID 117126803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).