N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide

C12H21N3 — CID 177040245

IUPACN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\N=C\C(CCC)=N\C(C)=N\C
InChIInChI=1S/C12H21N3/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2/h7,9H,6,8H2,1-5H3/b10-7-,13-11+,14-9+,15-12+
InChIKeyJYOMDNWDELAEQN-FVDVRPDLSA-N
MW207.32 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide

N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide (PubChem CID 177040245) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide
PubChem CID177040245
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\N=C\C(CCC)=N\C(C)=N\C
InChIInChI=1S/C12H21N3/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2/h7,9H,6,8H2,1-5H3/b10-7-,13-11+,14-9+,15-12+
InChIKeyJYOMDNWDELAEQN-FVDVRPDLSA-N
XLogP3.27
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide?
The IUPAC name of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide (CID 177040245) is N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide is C/C=C(C)\N=C\C(CCC)=N\C(C)=N\C.
What is the InChIKey of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide?
The InChIKey is JYOMDNWDELAEQN-FVDVRPDLSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2/h7,9H,6,8H2,1-5H3/b10-7-,13-11+,14-9+,15-12+.
What are the key properties of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide?
N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide has a molecular weight of 207.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide is sourced from PubChem (CID 177040245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).