N-(4-pyrrolidin-1-ylbutoxy)methanamine

C9H20N2O — CID 117126913

IUPACN-(4-pyrrolidin-1-ylbutoxy)methanamine
SMILESCNOCCCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-10-12-9-5-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3
InChIKeyHPMBIOPCDYMOBM-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds6

About N-(4-pyrrolidin-1-ylbutoxy)methanamine

N-(4-pyrrolidin-1-ylbutoxy)methanamine (PubChem CID 117126913) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylbutoxy)methanamine.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylbutoxy)methanamine
PubChem CID117126913
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(4-pyrrolidin-1-ylbutoxy)methanamine
SMILESCNOCCCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-10-12-9-5-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3
InChIKeyHPMBIOPCDYMOBM-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
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,N-dimethyl-4-(propylaminooxy)butan-1-amine
CID 90971318
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-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
CID 137474492
N-methoxymethanamine;1-methylpyrrolidine
CID 141862598
N-cyclopropyloxymethanamine;1-methylpyrrolidine
CID 166533188
1-methylpyrrolidine;N-propan-2-yloxymethanamine
CID 166533682
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561
4-methoxy-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 61814357
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64974363
N-ethoxy-2-pyrrolidin-1-ylethanamine
CID 103864704

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylbutoxy)methanamine?
The IUPAC name of N-(4-pyrrolidin-1-ylbutoxy)methanamine (CID 117126913) is N-(4-pyrrolidin-1-ylbutoxy)methanamine.
What is the SMILES notation for N-(4-pyrrolidin-1-ylbutoxy)methanamine?
The canonical SMILES for N-(4-pyrrolidin-1-ylbutoxy)methanamine is CNOCCCCN1CCCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylbutoxy)methanamine?
The InChIKey is HPMBIOPCDYMOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-12-9-5-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3.
What are the key properties of N-(4-pyrrolidin-1-ylbutoxy)methanamine?
N-(4-pyrrolidin-1-ylbutoxy)methanamine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylbutoxy)methanamine is sourced from PubChem (CID 117126913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).