[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine

C13H18ClN3O — CID 163404604

IUPAC[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine
SMILESNCC1(c2ncc(N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(17-3-5-18-6-4-17)8-16-12(11)13(9-15)1-2-13/h7-8H,1-6,9,15H2
InChIKeyYRNMTHVHJNAGQP-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.56
Rot. Bonds3

About [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine

[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine (PubChem CID 163404604) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine
PubChem CID163404604
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine
SMILESNCC1(c2ncc(N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(17-3-5-18-6-4-17)8-16-12(11)13(9-15)1-2-13/h7-8H,1-6,9,15H2
InChIKeyYRNMTHVHJNAGQP-UHFFFAOYSA-N
XLogP1.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine (CID 163404604) is [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine is NCC1(c2ncc(N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine?
The InChIKey is YRNMTHVHJNAGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-7-10(17-3-5-18-6-4-17)8-16-12(11)13(9-15)1-2-13/h7-8H,1-6,9,15H2.
What are the key properties of [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine?
[1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine has a molecular weight of 267.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-morpholin-4-yl-2-pyridinyl)cyclopropyl]methanamine is sourced from PubChem (CID 163404604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).