N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide

C11H20N2 — CID 169233630

IUPACN'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide
SMILESC/C=C(C)\C(C/N=C/N)=C(\C)CC
InChIInChI=1S/C11H20N2/c1-5-9(3)11(7-13-8-12)10(4)6-2/h5,8H,6-7H2,1-4H3,(H2,12,13)/b9-5-,11-10-
InChIKeyULYSGFSGYBJGSC-XSDWEOAISA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds4

About N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide

N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide (PubChem CID 169233630) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide
PubChem CID169233630
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide
SMILESC/C=C(C)\C(C/N=C/N)=C(\C)CC
InChIInChI=1S/C11H20N2/c1-5-9(3)11(7-13-8-12)10(4)6-2/h5,8H,6-7H2,1-4H3,(H2,12,13)/b9-5-,11-10-
InChIKeyULYSGFSGYBJGSC-XSDWEOAISA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene
CID 142079051
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(Z)-N,4-dimethylhex-4-en-3-imine
CID 176566678
N'-[(Z)-2-methylbut-1-enyl]methanimidamide
CID 142915722
(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
2,3-dimethylpent-2-ene;hydrazine
CID 87640391
(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
CID 143544186
(E)-4-methylhex-3-en-3-amine
CID 129020883
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide?
The IUPAC name of N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide (CID 169233630) is N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide is C/C=C(C)\C(C/N=C/N)=C(\C)CC.
What is the InChIKey of N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide?
The InChIKey is ULYSGFSGYBJGSC-XSDWEOAISA-N. The full InChI is InChI=1S/C11H20N2/c1-5-9(3)11(7-13-8-12)10(4)6-2/h5,8H,6-7H2,1-4H3,(H2,12,13)/b9-5-,11-10-.
What are the key properties of N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide?
N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide is sourced from PubChem (CID 169233630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).