2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile

C10H17N3O — CID 83021608

IUPAC2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNN2CCOCC2)CC1
InChIInChI=1S/C10H17N3O/c11-4-3-10(1-2-10)9-12-13-5-7-14-8-6-13/h12H,1-3,5-9H2
InChIKeyAPSNWEACXZAWJW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.52
Rot. Bonds4

About 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 83021608) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile
PubChem CID83021608
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNN2CCOCC2)CC1
InChIInChI=1S/C10H17N3O/c11-4-3-10(1-2-10)9-12-13-5-7-14-8-6-13/h12H,1-3,5-9H2
InChIKeyAPSNWEACXZAWJW-UHFFFAOYSA-N
XLogP0.52
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile (CID 83021608) is 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNN2CCOCC2)CC1.
What is the InChIKey of 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is APSNWEACXZAWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-4-3-10(1-2-10)9-12-13-5-7-14-8-6-13/h12H,1-3,5-9H2.
What are the key properties of 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 195.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(morpholin-4-ylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 83021608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).