2-(1-morpholin-2-ylethyl)guanidine;hydrochloride

C7H17ClN4O — CID 174836118

IUPAC2-(1-morpholin-2-ylethyl)guanidine;hydrochloride
SMILESCC(N=C(N)N)C1CNCCO1.Cl
InChIInChI=1S/C7H16N4O.ClH/c1-5(11-7(8)9)6-4-10-2-3-12-6;/h5-6,10H,2-4H2,1H3,(H4,8,9,11);1H
InChIKeyWJFYEZRDJWRLOA-UHFFFAOYSA-N
MW208.69 g/mol
LogP-0.94
Rot. Bonds2

About 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride

2-(1-morpholin-2-ylethyl)guanidine;hydrochloride (PubChem CID 174836118) has the molecular formula C7H17ClN4O and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-morpholin-2-ylethyl)guanidine;hydrochloride
PubChem CID174836118
Molecular FormulaC7H17ClN4O
Molecular Weight208.69 g/mol
Exact Mass208.11
IUPAC Name2-(1-morpholin-2-ylethyl)guanidine;hydrochloride
SMILESCC(N=C(N)N)C1CNCCO1.Cl
InChIInChI=1S/C7H16N4O.ClH/c1-5(11-7(8)9)6-4-10-2-3-12-6;/h5-6,10H,2-4H2,1H3,(H4,8,9,11);1H
InChIKeyWJFYEZRDJWRLOA-UHFFFAOYSA-N
XLogP-0.94
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174973290
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1-(1-morpholin-2-ylethoxy)ethanol
CID 18790491
(2S)-2-(difluoromethyl)morpholine;hydrochloride
CID 140765944
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
2-morpholin-2-ylbutanamide
CID 174480619
(2R)-2-(difluoromethyl)morpholine
CID 97296988
2,2,2-trifluoro-1-morpholin-2-ylethanol
CID 175950146
morpholin-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 116941022
2-[1-(2-methylprop-2-enoxy)ethyl]morpholine
CID 70372421
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
2-(1-pyrimidin-2-ylethyl)morpholine
CID 174892911

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride?
The IUPAC name of 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride (CID 174836118) is 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride is CC(N=C(N)N)C1CNCCO1.Cl.
What is the InChIKey of 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride?
The InChIKey is WJFYEZRDJWRLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O.ClH/c1-5(11-7(8)9)6-4-10-2-3-12-6;/h5-6,10H,2-4H2,1H3,(H4,8,9,11);1H.
What are the key properties of 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride?
2-(1-morpholin-2-ylethyl)guanidine;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-2-ylethyl)guanidine;hydrochloride is sourced from PubChem (CID 174836118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).