N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide

C13H25N5O2 — CID 142601427

IUPACN-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(/N/C(N)=C\CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H25N5O2/c1-15-13(18-6-10-20-11-7-18)16-12(14)2-3-17-4-8-19-9-5-17/h2H,3-11,14H2,1H3,(H,15,16)/b12-2-
InChIKeySDHIFUPRKLCNLE-OIXVIMQBSA-N
MW283.38 g/mol
LogP-0.97
Rot. Bonds3

About N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide

N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide (PubChem CID 142601427) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide
PubChem CID142601427
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(/N/C(N)=C\CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H25N5O2/c1-15-13(18-6-10-20-11-7-18)16-12(14)2-3-17-4-8-19-9-5-17/h2H,3-11,14H2,1H3,(H,15,16)/b12-2-
InChIKeySDHIFUPRKLCNLE-OIXVIMQBSA-N
XLogP-0.97
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374
(Z)-N'-methyl-3-(2-morpholin-4-ylethylamino)prop-2-enimidamide
CID 142291131
4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine
CID 10868624
4-[(E)-but-2-enyl]morpholine
CID 10909666
ethyl 4-[N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162964
(1-morpholin-4-ylpropan-2-ylideneamino)thiourea
CID 154266598
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
2-morpholin-4-ylacetaldehyde
CID 59310625
methyl 1-[N'-methyl-N-(4-morpholin-4-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253935
(Z)-2-morpholin-4-ylbut-2-enal
CID 11367132
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide?
The IUPAC name of N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide (CID 142601427) is N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide is C/N=C(/N/C(N)=C\CN1CCOCC1)N1CCOCC1.
What is the InChIKey of N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide?
The InChIKey is SDHIFUPRKLCNLE-OIXVIMQBSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-15-13(18-6-10-20-11-7-18)16-12(14)2-3-17-4-8-19-9-5-17/h2H,3-11,14H2,1H3,(H,15,16)/b12-2-.
What are the key properties of N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide?
N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide has a molecular weight of 283.38 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-morpholin-4-ylprop-1-enyl]-N'-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 142601427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).