4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine

C11H21N3O — CID 163621216

IUPAC4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine
SMILESNC1CC=C(CN2CCOCC2)CC1N
InChIInChI=1S/C11H21N3O/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1,10-11H,2-8,12-13H2
InChIKeyHOGJPBHQGLHLAP-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.31
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine

4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine (PubChem CID 163621216) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine
PubChem CID163621216
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine
SMILESNC1CC=C(CN2CCOCC2)CC1N
InChIInChI=1S/C11H21N3O/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1,10-11H,2-8,12-13H2
InChIKeyHOGJPBHQGLHLAP-UHFFFAOYSA-N
XLogP-0.31
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-Fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine
CID 163670928
4-[1-(Cyclohexen-1-yl)ethyl]morpholine
CID 12809640
4-(3-Methylcyclohex-2-en-1-yl)morpholine
CID 11019478
2-N-(2-methoxyethyl)-4-methylcyclohex-4-ene-1,2-diamine
CID 68230498
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
CID 70892510
4-(2,6-Dimethylmorpholin-4-yl)-2,5-dimethylcyclohex-2-en-1-amine
CID 70892614
(1R)-4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 70974391
4-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-amine
CID 71080599
[[4-(2,6-Dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol
CID 71080618
2-Methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine
CID 89073923
4-(4-Ethylcyclohex-3-en-1-yl)morpholine
CID 91088513
4-(4-Methylcyclohex-3-en-1-yl)morpholine
CID 91300436

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine?
The IUPAC name of 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine (CID 163621216) is 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine?
The canonical SMILES for 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine is NC1CC=C(CN2CCOCC2)CC1N.
What is the InChIKey of 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine?
The InChIKey is HOGJPBHQGLHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1,10-11H,2-8,12-13H2.
What are the key properties of 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine?
4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine has a molecular weight of 211.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 163621216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).