N-pentylmorpholin-4-amine

C9H20N2O — CID 57306010

IUPACN-pentylmorpholin-4-amine
SMILESCCCCCNN1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-10-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyHDWASUWWWWDATJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds5

About N-pentylmorpholin-4-amine

N-pentylmorpholin-4-amine (PubChem CID 57306010) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-pentylmorpholin-4-amine.

Molecular Properties

Compound NameN-pentylmorpholin-4-amine
PubChem CID57306010
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-pentylmorpholin-4-amine
SMILESCCCCCNN1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-10-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyHDWASUWWWWDATJ-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N-pentylmorpholin-4-amine?
The IUPAC name of N-pentylmorpholin-4-amine (CID 57306010) is N-pentylmorpholin-4-amine.
What is the SMILES notation for N-pentylmorpholin-4-amine?
The canonical SMILES for N-pentylmorpholin-4-amine is CCCCCNN1CCOCC1.
What is the InChIKey of N-pentylmorpholin-4-amine?
The InChIKey is HDWASUWWWWDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-4-5-10-11-6-8-12-9-7-11/h10H,2-9H2,1H3.
What are the key properties of N-pentylmorpholin-4-amine?
N-pentylmorpholin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylmorpholin-4-amine is sourced from PubChem (CID 57306010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).