ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen

C16H33N3O — CID 169170351

IUPACethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
SMILESC/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1.CC.[H][H]
InChIInChI=1S/C14H25N3O.C2H6.H2/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13;1-2;/h5-6,12-13H,7-10H2,1-4H3,(H,16,18);1-2H3;1H/b6-5-,15-11-;;
InChIKeyMBYLLPFXKWCAMI-DVTFWFASSA-N
MW283.46 g/mol
LogP3.10
Rot. Bonds4

About ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen

ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen (PubChem CID 169170351) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
PubChem CID169170351
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Nameethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
SMILESC/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1.CC.[H][H]
InChIInChI=1S/C14H25N3O.C2H6.H2/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13;1-2;/h5-6,12-13H,7-10H2,1-4H3,(H,16,18);1-2H3;1H/b6-5-,15-11-;;
InChIKeyMBYLLPFXKWCAMI-DVTFWFASSA-N
XLogP3.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
CID 123815456
ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
CID 143189390
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
2-hydroxy-N-[(1-isobutyryl-4-piperidinyl)methyl]-6-methyl-4-pyrimidinecarboxamide
CID 162628277
1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide
CID 169170352

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen?
The IUPAC name of ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen (CID 169170351) is ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen is C/C=C\C(C)=N/C(C)NC(=O)C1CCN(C)CC1.CC.[H][H].
What is the InChIKey of ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen?
The InChIKey is MBYLLPFXKWCAMI-DVTFWFASSA-N. The full InChI is InChI=1S/C14H25N3O.C2H6.H2/c1-5-6-11(2)15-12(3)16-14(18)13-7-9-17(4)10-8-13;1-2;/h5-6,12-13H,7-10H2,1-4H3,(H,16,18);1-2H3;1H/b6-5-,15-11-;;.
What are the key properties of ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen?
ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen has a molecular weight of 283.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 169170351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).