N-(morpholin-2-ylmethyl)but-1-en-2-amine

C9H18N2O — CID 164598939

IUPACN-(morpholin-2-ylmethyl)but-1-en-2-amine
SMILESC=C(CC)NCC1CNCCO1
InChIInChI=1S/C9H18N2O/c1-3-8(2)11-7-9-6-10-4-5-12-9/h9-11H,2-7H2,1H3
InChIKeyFYAZHKGTNVVJAA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.49
Rot. Bonds4

About N-(morpholin-2-ylmethyl)but-1-en-2-amine

N-(morpholin-2-ylmethyl)but-1-en-2-amine (PubChem CID 164598939) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)but-1-en-2-amine
PubChem CID164598939
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(morpholin-2-ylmethyl)but-1-en-2-amine
SMILESC=C(CC)NCC1CNCCO1
InChIInChI=1S/C9H18N2O/c1-3-8(2)11-7-9-6-10-4-5-12-9/h9-11H,2-7H2,1H3
InChIKeyFYAZHKGTNVVJAA-UHFFFAOYSA-N
XLogP0.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)but-1-en-2-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)but-1-en-2-amine (CID 164598939) is N-(morpholin-2-ylmethyl)but-1-en-2-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)but-1-en-2-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)but-1-en-2-amine is C=C(CC)NCC1CNCCO1.
What is the InChIKey of N-(morpholin-2-ylmethyl)but-1-en-2-amine?
The InChIKey is FYAZHKGTNVVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-8(2)11-7-9-6-10-4-5-12-9/h9-11H,2-7H2,1H3.
What are the key properties of N-(morpholin-2-ylmethyl)but-1-en-2-amine?
N-(morpholin-2-ylmethyl)but-1-en-2-amine has a molecular weight of 170.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)but-1-en-2-amine is sourced from PubChem (CID 164598939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).