N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide

C16H30N4O — CID 111063749

IUPACN'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide
SMILESC=CCN(CC=C)C(C/N=C(\N)N1CCOCC1)C(C)C
InChIInChI=1S/C16H30N4O/c1-5-7-19(8-6-2)15(14(3)4)13-18-16(17)20-9-11-21-12-10-20/h5-6,14-15H,1-2,7-13H2,3-4H3,(H2,17,18)
InChIKeyKMVFOITZCAPLIF-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.33
Rot. Bonds8

About N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide

N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide (PubChem CID 111063749) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide
PubChem CID111063749
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide
SMILESC=CCN(CC=C)C(C/N=C(\N)N1CCOCC1)C(C)C
InChIInChI=1S/C16H30N4O/c1-5-7-19(8-6-2)15(14(3)4)13-18-16(17)20-9-11-21-12-10-20/h5-6,14-15H,1-2,7-13H2,3-4H3,(H2,17,18)
InChIKeyKMVFOITZCAPLIF-UHFFFAOYSA-N
XLogP1.33
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726505
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111063797
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111063796
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
N'-[2-[ethyl(methyl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111085730

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide (CID 111063749) is N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide is C=CCN(CC=C)C(C/N=C(\N)N1CCOCC1)C(C)C.
What is the InChIKey of N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide?
The InChIKey is KMVFOITZCAPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-7-19(8-6-2)15(14(3)4)13-18-16(17)20-9-11-21-12-10-20/h5-6,14-15H,1-2,7-13H2,3-4H3,(H2,17,18).
What are the key properties of N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide?
N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide has a molecular weight of 294.44 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111063749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).