N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide

C10H19N3 — CID 172597691

IUPACN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(/C=C(/C)N)C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10(6-8(3)11)13-9(4)12-5/h6-7H,11H2,1-5H3/b8-6-,12-9+,13-10-
InChIKeyHPBLIMVHYMJCHN-GBUIWGMGSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds2

About N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide

N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide (PubChem CID 172597691) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide
PubChem CID172597691
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(/C=C(/C)N)C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10(6-8(3)11)13-9(4)12-5/h6-7H,11H2,1-5H3/b8-6-,12-9+,13-10-
InChIKeyHPBLIMVHYMJCHN-GBUIWGMGSA-N
XLogP1.99
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide (CID 172597691) is N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide is C/N=C(C)/N=C(/C=C(/C)N)C(C)C.
What is the InChIKey of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide?
The InChIKey is HPBLIMVHYMJCHN-GBUIWGMGSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)10(6-8(3)11)13-9(4)12-5/h6-7H,11H2,1-5H3/b8-6-,12-9+,13-10-.
What are the key properties of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide?
N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide is sourced from PubChem (CID 172597691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).