N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane

C14H29N3O2 — CID 143443518

IUPACN-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane
SMILESCCC.CN(CCC/C=C\N)C(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2.C3H8/c1-13(6-4-2-3-5-12)11(15)14-7-9-16-10-8-14;1-3-2/h3,5H,2,4,6-10,12H2,1H3;3H2,1-2H3/b5-3-;
InChIKeyTVHWUIJXKBTLHP-FBZPGIPVSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds4

About N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane

N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane (PubChem CID 143443518) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane.

Molecular Properties

Compound NameN-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane
PubChem CID143443518
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane
SMILESCCC.CN(CCC/C=C\N)C(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2.C3H8/c1-13(6-4-2-3-5-12)11(15)14-7-9-16-10-8-14;1-3-2/h3,5H,2,4,6-10,12H2,1H3;3H2,1-2H3/b5-3-;
InChIKeyTVHWUIJXKBTLHP-FBZPGIPVSA-N
XLogP2.04
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
CID 3091
N-(2-hydroxyethyl)-N-pentylmorpholine-4-carboxamide
CID 111119288
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
CID 79154886
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 116657762
N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989729

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane?
The IUPAC name of N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane (CID 143443518) is N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane.
What is the SMILES notation for N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane?
The canonical SMILES for N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane is CCC.CN(CCC/C=C\N)C(=O)N1CCOCC1.
What is the InChIKey of N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane?
The InChIKey is TVHWUIJXKBTLHP-FBZPGIPVSA-N. The full InChI is InChI=1S/C11H21N3O2.C3H8/c1-13(6-4-2-3-5-12)11(15)14-7-9-16-10-8-14;1-3-2/h3,5H,2,4,6-10,12H2,1H3;3H2,1-2H3/b5-3-;.
What are the key properties of N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane?
N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane has a molecular weight of 271.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-aminopent-4-enyl]-N-methylmorpholine-4-carboxamide;propane is sourced from PubChem (CID 143443518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).