[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone

C10H18N2O2 — CID 80588742

IUPAC[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1(CN)CC1
InChIInChI=1S/C10H18N2O2/c1-8-6-14-5-4-12(8)9(13)10(7-11)2-3-10/h8H,2-7,11H2,1H3
InChIKeyKHZVXJHCUSTNAH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone

[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 80588742) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
PubChem CID80588742
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1(CN)CC1
InChIInChI=1S/C10H18N2O2/c1-8-6-14-5-4-12(8)9(13)10(7-11)2-3-10/h8H,2-7,11H2,1H3
InChIKeyKHZVXJHCUSTNAH-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone (CID 80588742) is [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is KHZVXJHCUSTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-6-14-5-4-12(8)9(13)10(7-11)2-3-10/h8H,2-7,11H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 80588742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).