N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide

C12H19N3 — CID 167180487

IUPACN-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(C)C)CC1=C
InChIInChI=1S/C12H19N3/c1-6-13-9-14-11-8-15(7-10(11)2)12(3,4)5/h6,9H,1-2,7-8H2,3-5H3/b13-9+,14-11+
InChIKeyLPHAMIFINATLSH-IJFRVEDASA-N
MW205.30 g/mol
LogP2.27
Rot. Bonds2

About N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide

N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide (PubChem CID 167180487) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide
PubChem CID167180487
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(C)C)CC1=C
InChIInChI=1S/C12H19N3/c1-6-13-9-14-11-8-15(7-10(11)2)12(3,4)5/h6,9H,1-2,7-8H2,3-5H3/b13-9+,14-11+
InChIKeyLPHAMIFINATLSH-IJFRVEDASA-N
XLogP2.27
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.27
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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Related Compounds

(4Z)-1-tert-butyl-N-ethenyl-4-ethylidenepyrrolidin-3-imine
CID 132163049
ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154277
1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154278
N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
CID 167180522
N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
CID 167180543
N-tert-butyl-3-ethenylimino-N-methyl-2-methylidenebutan-1-amine
CID 178713207

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide?
The IUPAC name of N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide (CID 167180487) is N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide.
What is the SMILES notation for N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide?
The canonical SMILES for N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide is C=C/N=C/N=C1\CN(C(C)(C)C)CC1=C.
What is the InChIKey of N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide?
The InChIKey is LPHAMIFINATLSH-IJFRVEDASA-N. The full InChI is InChI=1S/C12H19N3/c1-6-13-9-14-11-8-15(7-10(11)2)12(3,4)5/h6,9H,1-2,7-8H2,3-5H3/b13-9+,14-11+.
What are the key properties of N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide?
N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide has a molecular weight of 205.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide is sourced from PubChem (CID 167180487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).