N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

C14H27N5O2 — CID 111030584

IUPACN-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(\NCCNC(=O)C1CC1)NCCN1CCOCC1
InChIInChI=1S/C14H27N5O2/c1-15-14(17-5-4-16-13(20)12-2-3-12)18-6-7-19-8-10-21-11-9-19/h12H,2-11H2,1H3,(H,16,20)(H2,15,17,18)
InChIKeyOXTRLIFBPCNVCS-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.99
Rot. Bonds7

About N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111030584) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID111030584
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC NameN-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(\NCCNC(=O)C1CC1)NCCN1CCOCC1
InChIInChI=1S/C14H27N5O2/c1-15-14(17-5-4-16-13(20)12-2-3-12)18-6-7-19-8-10-21-11-9-19/h12H,2-11H2,1H3,(H,16,20)(H2,15,17,18)
InChIKeyOXTRLIFBPCNVCS-UHFFFAOYSA-N
XLogP-0.99
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056809
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 75532926
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111032974
1-[3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111091537
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111035845

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 111030584) is N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is C/N=C(\NCCNC(=O)C1CC1)NCCN1CCOCC1.
What is the InChIKey of N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OXTRLIFBPCNVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-15-14(17-5-4-16-13(20)12-2-3-12)18-6-7-19-8-10-21-11-9-19/h12H,2-11H2,1H3,(H,16,20)(H2,15,17,18).
What are the key properties of N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).