(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine

C10H18ClN3O2 — CID 134893198

IUPAC(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine
SMILESClC(/N=C\N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18ClN3O2/c11-10(14-3-7-16-8-4-14)12-9-13-1-5-15-6-2-13/h9-10H,1-8H2/b12-9-
InChIKeyKTDYMXMBOTZBQK-XFXZXTDPSA-N
MW247.73 g/mol
LogP0.20
Rot. Bonds3

About (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine

(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine (PubChem CID 134893198) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine
PubChem CID134893198
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine
SMILESClC(/N=C\N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18ClN3O2/c11-10(14-3-7-16-8-4-14)12-9-13-1-5-15-6-2-13/h9-10H,1-8H2/b12-9-
InChIKeyKTDYMXMBOTZBQK-XFXZXTDPSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-morpholin-4-ylacetaldehyde
CID 87774455
(E)-morpholin-4-ylmethylidenethiourea
CID 13127078
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
CID 26975111
4-pentan-3-ylmorpholine
CID 641553
4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
CID 134919993
CID 134919993
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
4-[(E)-1-morpholin-4-ylhex-1-en-3-yl]morpholine
CID 13257188
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
N,N'-bis(1-morpholin-4-ylethyl)methanediimine
CID 139674552
morpholine-4-carbaldehyde;perchloric acid
CID 12512320

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine (CID 134893198) is (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine is ClC(/N=C\N1CCOCC1)N1CCOCC1.
What is the InChIKey of (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine?
The InChIKey is KTDYMXMBOTZBQK-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c11-10(14-3-7-16-8-4-14)12-9-13-1-5-15-6-2-13/h9-10H,1-8H2/b12-9-.
What are the key properties of (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine?
(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine has a molecular weight of 247.73 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 134893198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).